7-benzyl-4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;benzyl 4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(3R)-3-(isocyanomethyl)piperidine;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane

C139H194Cl3N31O17S11 — CID 158473248

About 7-benzyl-4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;benzyl 4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(3R)-3-(isocyanomethyl)piperidine;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane

7-benzyl-4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;benzyl 4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(3R)-3-(isocyanomethyl)piperidine;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane (PubChem CID 158473248) has the molecular formula C139H194Cl3N31O17S11 and a molecular weight of 3030.38 g/mol. Its IUPAC name is 7-benzyl-4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;benzyl 4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(3R)-3-(isocyanomethyl)piperidine;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane.

Molecular Properties

• Compound Name: 7-benzyl-4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;benzyl 4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(3R)-3-(isocyanomethyl)piperidine;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane
• PubChem CID: 158473248
• Molecular Formula: C139H194Cl3N31O17S11
• Molecular Weight: 3030.38 g/mol
• Exact Mass: 3026.13
• IUPAC Name: 7-benzyl-4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;benzyl 4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(3R)-3-(isocyanomethyl)piperidine;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane
• SMILES: C.CN1CCC[C@H]1CO.CSc1nc(Cl)c2c(n1)CN(C(=O)OCc1ccccc1)CC2.CSc1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2.CSc1nc(Cl)c2c(n1)CNCC2.S.S.S.S.S.S.[C-]#[N+]C[C@@H]1CCCNC1.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(C(=O)OCc2ccccc2)C3)CCN1C(=O)OC(C)(C)C.[C-]#[N+]C[C@H]1CN(c2nc(S(C)=O)nc3c2CCN(C(=O)OCc2ccccc2)C3)CCN1C(=O)OC(C)(C)C.[C-]#[N+]C[C@H]1CN(c2nc(SC)nc3c2CCN(C(=O)OCc2ccccc2)C3)CCN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C32H43N7O5.C27H34N6O5S.C27H34N6O4S.C16H16ClN3O2S.C15H16ClN3S.C8H10ClN3S.C7H12N2.C6H13NO.CH4.6H2S/c1-32(2,3)44-31(41)39-17-16-37(19-25(39)18-33-4)28-26-13-15-38(30(40)43-21-23-10-7-6-8-11-23)20-27(26)34-29(35-28)42-22-24-12-9-14-36(24)5;1-27(2,3)38-26(35)33-14-13-31(16-20(33)15-28-4)23-21-11-12-32(17-22(21)29-24(30-23)39(5)36)25(34)37-18-19-9-7-6-8-10-19;1-27(2,3)37-26(35)33-14-13-31(16-20(33)15-28-4)23-21-11-12-32(17-22(21)29-24(30-23)38-5)25(34)36-18-19-9-7-6-8-10-19;1-23-15-18-13-9-20(8-7-12(13)14(17)19-15)16(21)22-10-11-5-3-2-4-6-11;1-20-15-17-13-10-19(8-7-12(13)14(16)18-15)9-11-5-3-2-4-6-11;1-13-8-11-6-4-10-3-2-5(6)7(9)12-8;1-8-5-7-3-2-4-9-6-7;1-7-4-2-3-6(7)5-8;;;;;;;/h6-8,10-11,24-25H,9,12-22H2,1-3,5H3;6-10,20H,11-18H2,1-3,5H3;6-10,20H,11-18H2,1-3,5H3;2-6H,7-10H2,1H3;2-6H,7-10H2,1H3;10H,2-4H2,1H3;7,9H,2-6H2;6,8H,2-5H2,1H3;1H4;6*1H2/t24-,25-;20-,39?;20-;;;;7-;6-;;;;;;;/m000...00......./s1
• InChIKey: HGPLJRODHPNRMB-AVNSRVJFSA-N
• XLogP: 22.23
• TPSA: 468.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 41
• Rotatable Bonds: 26
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3030.38
LogP ≤ 5	22.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;benzyl 4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(3R)-3-(isocyanomethyl)piperidine;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane?

The IUPAC name of 7-benzyl-4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;benzyl 4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(3R)-3-(isocyanomethyl)piperidine;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane (CID 158473248) is 7-benzyl-4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;benzyl 4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(3R)-3-(isocyanomethyl)piperidine;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane.

What is the SMILES notation for 7-benzyl-4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;benzyl 4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(3R)-3-(isocyanomethyl)piperidine;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane?

The canonical SMILES for 7-benzyl-4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;benzyl 4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(3R)-3-(isocyanomethyl)piperidine;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane is C.CN1CCC[C@H]1CO.CSc1nc(Cl)c2c(n1)CN(C(=O)OCc1ccccc1)CC2.CSc1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2.CSc1nc(Cl)c2c(n1)CNCC2.S.S.S.S.S.S.[C-]#[N+]C[C@@H]1CCCNC1.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(C(=O)OCc2ccccc2)C3)CCN1C(=O)OC(C)(C)C.[C-]#[N+]C[C@H]1CN(c2nc(S(C)=O)nc3c2CCN(C(=O)OCc2ccccc2)C3)CCN1C(=O)OC(C)(C)C.[C-]#[N+]C[C@H]1CN(c2nc(SC)nc3c2CCN(C(=O)OCc2ccccc2)C3)CCN1C(=O)OC(C)(C)C.

What is the InChIKey of 7-benzyl-4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;benzyl 4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(3R)-3-(isocyanomethyl)piperidine;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane?

The InChIKey is HGPLJRODHPNRMB-AVNSRVJFSA-N. The full InChI is InChI=1S/C32H43N7O5.C27H34N6O5S.C27H34N6O4S.C16H16ClN3O2S.C15H16ClN3S.C8H10ClN3S.C7H12N2.C6H13NO.CH4.6H2S/c1-32(2,3)44-31(41)39-17-16-37(19-25(39)18-33-4)28-26-13-15-38(30(40)43-21-23-10-7-6-8-11-23)20-27(26)34-29(35-28)42-22-24-12-9-14-36(24)5;1-27(2,3)38-26(35)33-14-13-31(16-20(33)15-28-4)23-21-11-12-32(17-22(21)29-24(30-23)39(5)36)25(34)37-18-19-9-7-6-8-10-19;1-27(2,3)37-26(35)33-14-13-31(16-20(33)15-28-4)23-21-11-12-32(17-22(21)29-24(30-23)38-5)25(34)36-18-19-9-7-6-8-10-19;1-23-15-18-13-9-20(8-7-12(13)14(17)19-15)16(21)22-10-11-5-3-2-4-6-11;1-20-15-17-13-10-19(8-7-12(13)14(16)18-15)9-11-5-3-2-4-6-11;1-13-8-11-6-4-10-3-2-5(6)7(9)12-8;1-8-5-7-3-2-4-9-6-7;1-7-4-2-3-6(7)5-8;;;;;;;/h6-8,10-11,24-25H,9,12-22H2,1-3,5H3;6-10,20H,11-18H2,1-3,5H3;6-10,20H,11-18H2,1-3,5H3;2-6H,7-10H2,1H3;2-6H,7-10H2,1H3;10H,2-4H2,1H3;7,9H,2-6H2;6,8H,2-5H2,1H3;1H4;6*1H2/t24-,25-;20-,39?;20-;;;;7-;6-;;;;;;;/m000...00......./s1.

What are the key properties of 7-benzyl-4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;benzyl 4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(3R)-3-(isocyanomethyl)piperidine;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane?

7-benzyl-4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;benzyl 4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(3R)-3-(isocyanomethyl)piperidine;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane has a molecular weight of 3030.38 g/mol, XLogP of 22.23, 26 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 7-benzyl-4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;benzyl 4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;benzyl 4-[(3R)-3-(isocyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;(3R)-3-(isocyanomethyl)piperidine;methane;[(2S)-1-methylpyrrolidin-2-yl]methanol;sulfane is sourced from PubChem (CID 158473248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).