lithium;methyl 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(3H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane;hydroxide

C100H123BrLiN9O24S3Sn — CID 157432793

About lithium;methyl 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(3H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane;hydroxide

lithium;methyl 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(3H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane;hydroxide (PubChem CID 157432793) has the molecular formula C100H123BrLiN9O24S3Sn and a molecular weight of 2136.88 g/mol. Its IUPAC name is lithium;methyl 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(3H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane;hydroxide.

Molecular Properties

• Compound Name: lithium;methyl 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(3H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane;hydroxide
• PubChem CID: 157432793
• Molecular Formula: C100H123BrLiN9O24S3Sn
• Molecular Weight: 2136.88 g/mol
• Exact Mass: 2135.62
• IUPAC Name: lithium;methyl 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(3H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane;hydroxide
• SMILES: CCCC[Sn](CCCC)(CCCC)c1ncco1.COC(=O)C1(n2c(=O)c3c(C)c(-c4ncco4)sc3n(CC(OC3CCOCC3)c3ccccc3OC)c2=O)CC1.COC(=O)C1(n2c(=O)c3c(C)c(Br)sc3n(CC(OC3CCOCC3)c3ccccc3OC)c2=O)CC1.COC(=O)C1(n2c(=O)c3c(C)c(C4=NC=CC4)sc3n(CC(OC3CCOCC3)c3ccccc3OC)c2=O)CC1.[Li+].[OH-]
• InChI: InChI=1S/C30H33N3O7S.C29H31N3O8S.C26H29BrN2O7S.3C4H9.C3H2NO.Li.H2O.Sn/c1-18-24-26(34)33(30(12-13-30)28(35)38-3)29(36)32(27(24)41-25(18)21-8-6-14-31-21)17-23(40-19-10-15-39-16-11-19)20-7-4-5-9-22(20)37-2;1-17-22-25(33)32(29(10-11-29)27(34)37-3)28(35)31(26(22)41-23(17)24-30-12-15-39-24)16-21(40-18-8-13-38-14-9-18)19-6-4-5-7-20(19)36-2;1-15-20-22(30)29(26(10-11-26)24(31)34-3)25(32)28(23(20)37-21(15)27)14-19(36-16-8-12-35-13-9-16)17-6-4-5-7-18(17)33-2;3*1-3-4-2;1-2-5-3-4-1;;;/h4-7,9,14,19,23H,8,10-13,15-17H2,1-3H3;4-7,12,15,18,21H,8-11,13-14,16H2,1-3H3;4-7,16,19H,8-14H2,1-3H3;3*1,3-4H2,2H3;1-2H;;1H2;/q;;;;;;;+1;;/p-1
• InChIKey: BQSYTCSJKSGRRR-UHFFFAOYSA-M
• XLogP: 13.10
• TPSA: 388.39 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 36
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2136.88
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;methyl 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(3H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane;hydroxide?

The IUPAC name of lithium;methyl 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(3H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane;hydroxide (CID 157432793) is lithium;methyl 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(3H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane;hydroxide.

What is the SMILES notation for lithium;methyl 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(3H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane;hydroxide?

The canonical SMILES for lithium;methyl 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(3H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane;hydroxide is CCCC[Sn](CCCC)(CCCC)c1ncco1.COC(=O)C1(n2c(=O)c3c(C)c(-c4ncco4)sc3n(CC(OC3CCOCC3)c3ccccc3OC)c2=O)CC1.COC(=O)C1(n2c(=O)c3c(C)c(Br)sc3n(CC(OC3CCOCC3)c3ccccc3OC)c2=O)CC1.COC(=O)C1(n2c(=O)c3c(C)c(C4=NC=CC4)sc3n(CC(OC3CCOCC3)c3ccccc3OC)c2=O)CC1.[Li+].[OH-].

What is the InChIKey of lithium;methyl 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(3H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane;hydroxide?

The InChIKey is BQSYTCSJKSGRRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H33N3O7S.C29H31N3O8S.C26H29BrN2O7S.3C4H9.C3H2NO.Li.H2O.Sn/c1-18-24-26(34)33(30(12-13-30)28(35)38-3)29(36)32(27(24)41-25(18)21-8-6-14-31-21)17-23(40-19-10-15-39-16-11-19)20-7-4-5-9-22(20)37-2;1-17-22-25(33)32(29(10-11-29)27(34)37-3)28(35)31(26(22)41-23(17)24-30-12-15-39-24)16-21(40-18-8-13-38-14-9-18)19-6-4-5-7-20(19)36-2;1-15-20-22(30)29(26(10-11-26)24(31)34-3)25(32)28(23(20)37-21(15)27)14-19(36-16-8-12-35-13-9-16)17-6-4-5-7-18(17)33-2;3*1-3-4-2;1-2-5-3-4-1;;;/h4-7,9,14,19,23H,8,10-13,15-17H2,1-3H3;4-7,12,15,18,21H,8-11,13-14,16H2,1-3H3;4-7,16,19H,8-14H2,1-3H3;3*1,3-4H2,2H3;1-2H;;1H2;/q;;;;;;;+1;;/p-1.

What are the key properties of lithium;methyl 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(3H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane;hydroxide?

lithium;methyl 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(3H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane;hydroxide has a molecular weight of 2136.88 g/mol, XLogP of 13.10, 36 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;methyl 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(3H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;methyl 1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane;hydroxide is sourced from PubChem (CID 157432793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).