4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide

C190H196N38O34S13 — CID 160575489

About 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide

4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide (PubChem CID 160575489) has the molecular formula C190H196N38O34S13 and a molecular weight of 3972.76 g/mol. Its IUPAC name is 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide.

Molecular Properties

• Compound Name: 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide
• PubChem CID: 160575489
• Molecular Formula: C190H196N38O34S13
• Molecular Weight: 3972.76 g/mol
• Exact Mass: 3969.11
• IUPAC Name: 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide
• SMILES: Cc1nc2cccc3n2c1C=C(CCC(=O)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O)S3.Nc1nc(SCCCC(=O)NCCCn2c(=O)c(-c3ccccc3)c3n(c2=O)CCCS3(=O)=O)c2[nH]cnc2n1.O=C(CCC1=Cc2cnc3cccc(n23)S1)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O.O=C(CCCSc1cccc2nccn12)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O.O=C(CCCSc1cccc2nccn12)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2=O.O=C(CCCSc1ncnc2[nH]ccc12)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O.O=C(NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O)c1ccc(-c2cccnc2)cc1
• InChI: InChI=1S/C29H29N5O5S2.C28H27N5O5S2.C28H26N4O5S.C27H29N5O5S2.C27H29N5O4S2.C26H28N6O5S2.C25H28N8O5S2/c1-19-22-18-21(40-25-11-5-10-23(31-19)34(22)25)12-13-24(35)30-14-6-15-32-27(36)26(20-8-3-2-4-9-20)28-33(29(32)37)16-7-17-41(28,38)39;34-23(12-11-21-17-20-18-30-22-9-4-10-24(39-21)33(20)22)29-13-5-14-31-26(35)25(19-7-2-1-3-8-19)27-32(28(31)36)15-6-16-40(27,37)38;33-25(22-12-10-20(11-13-22)23-9-4-14-29-19-23)30-15-5-16-31-26(34)24(21-7-2-1-3-8-21)27-32(28(31)35)17-6-18-38(27,36)37;33-22(11-5-18-38-23-12-4-10-21-28-14-17-30(21)23)29-13-6-15-31-25(34)24(20-8-2-1-3-9-20)26-32(27(31)35)16-7-19-39(26,36)37;33-22(11-5-18-37-23-12-4-10-21-28-14-17-30(21)23)29-13-6-15-31-25(34)24(20-8-2-1-3-9-20)26-32(27(31)35)16-7-19-38(26)36;33-20(9-4-15-38-23-19-10-12-28-22(19)29-17-30-23)27-11-5-13-31-24(34)21(18-7-2-1-3-8-18)25-32(26(31)35)14-6-16-39(25,36)37;26-24-30-20-19(28-15-29-20)21(31-24)39-13-4-9-17(34)27-10-5-11-32-22(35)18(16-7-2-1-3-8-16)23-33(25(32)36)12-6-14-40(23,37)38/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,30,35);1-4,7-10,17-18H,5-6,11-16H2,(H,29,34);1-4,7-14,19H,5-6,15-18H2,(H,30,33);1-4,8-10,12,14,17H,5-7,11,13,15-16,18-19H2,(H,29,33);1-4,8-10,12,14,17H,5-7,11,13,15-16,18-19H2,(H,29,33);1-3,7-8,10,12,17H,4-6,9,11,13-16H2,(H,27,33)(H,28,29,30);1-3,7-8,15H,4-6,9-14H2,(H,27,34)(H3,26,28,29,30,31)
• InChIKey: RBCAOHNAJCOCDG-UHFFFAOYSA-N
• XLogP: 17.80
• TPSA: 937.75 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 69
• Rotatable Bonds: 63
• Heavy Atoms: 275
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3972.76
LogP ≤ 5	17.80
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	69

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide?

The IUPAC name of 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide (CID 160575489) is 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide.

What is the SMILES notation for 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide?

The canonical SMILES for 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide is Cc1nc2cccc3n2c1C=C(CCC(=O)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O)S3.Nc1nc(SCCCC(=O)NCCCn2c(=O)c(-c3ccccc3)c3n(c2=O)CCCS3(=O)=O)c2[nH]cnc2n1.O=C(CCC1=Cc2cnc3cccc(n23)S1)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O.O=C(CCCSc1cccc2nccn12)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O.O=C(CCCSc1cccc2nccn12)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2=O.O=C(CCCSc1ncnc2[nH]ccc12)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O.O=C(NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O)c1ccc(-c2cccnc2)cc1.

What is the InChIKey of 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide?

The InChIKey is RBCAOHNAJCOCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O5S2.C28H27N5O5S2.C28H26N4O5S.C27H29N5O5S2.C27H29N5O4S2.C26H28N6O5S2.C25H28N8O5S2/c1-19-22-18-21(40-25-11-5-10-23(31-19)34(22)25)12-13-24(35)30-14-6-15-32-27(36)26(20-8-3-2-4-9-20)28-33(29(32)37)16-7-17-41(28,38)39;34-23(12-11-21-17-20-18-30-22-9-4-10-24(39-21)33(20)22)29-13-5-14-31-26(35)25(19-7-2-1-3-8-19)27-32(28(31)36)15-6-16-40(27,37)38;33-25(22-12-10-20(11-13-22)23-9-4-14-29-19-23)30-15-5-16-31-26(34)24(21-7-2-1-3-8-21)27-32(28(31)35)17-6-18-38(27,36)37;33-22(11-5-18-38-23-12-4-10-21-28-14-17-30(21)23)29-13-6-15-31-25(34)24(20-8-2-1-3-9-20)26-32(27(31)35)16-7-19-39(26,36)37;33-22(11-5-18-37-23-12-4-10-21-28-14-17-30(21)23)29-13-6-15-31-25(34)24(20-8-2-1-3-9-20)26-32(27(31)35)16-7-19-38(26)36;33-20(9-4-15-38-23-19-10-12-28-22(19)29-17-30-23)27-11-5-13-31-24(34)21(18-7-2-1-3-8-18)25-32(26(31)35)14-6-16-39(25,36)37;26-24-30-20-19(28-15-29-20)21(31-24)39-13-4-9-17(34)27-10-5-11-32-22(35)18(16-7-2-1-3-8-16)23-33(25(32)36)12-6-14-40(23,37)38/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,30,35);1-4,7-10,17-18H,5-6,11-16H2,(H,29,34);1-4,7-14,19H,5-6,15-18H2,(H,30,33);1-4,8-10,12,14,17H,5-7,11,13,15-16,18-19H2,(H,29,33);1-4,8-10,12,14,17H,5-7,11,13,15-16,18-19H2,(H,29,33);1-3,7-8,10,12,17H,4-6,9,11,13-16H2,(H,27,33)(H,28,29,30);1-3,7-8,15H,4-6,9-14H2,(H,27,34)(H3,26,28,29,30,31).

What are the key properties of 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide?

4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide has a molecular weight of 3972.76 g/mol, XLogP of 17.80, 63 rotatable bonds, 10 hydrogen bond donors, and 69 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide is sourced from PubChem (CID 160575489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).