2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;3,7-dihydropurine-6-thione;platinum;tris(aziridin-1-yl)-sulfanylidene-λ5-phosphane

C36H43N20O5PPtS3 — CID 174858926

About 2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;3,7-dihydropurine-6-thione;platinum;tris(aziridin-1-yl)-sulfanylidene-λ5-phosphane

2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;3,7-dihydropurine-6-thione;platinum;tris(aziridin-1-yl)-sulfanylidene-λ5-phosphane (PubChem CID 174858926) has the molecular formula C36H43N20O5PPtS3 and a molecular weight of 1158.13 g/mol. Its IUPAC name is 2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;3,7-dihydropurine-6-thione;platinum;tris(aziridin-1-yl)-sulfanylidene-λ5-phosphane.

Molecular Properties

• Compound Name: 2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;3,7-dihydropurine-6-thione;platinum;tris(aziridin-1-yl)-sulfanylidene-λ5-phosphane
• PubChem CID: 174858926
• Molecular Formula: C36H43N20O5PPtS3
• Molecular Weight: 1158.13 g/mol
• Exact Mass: 1157.23
• IUPAC Name: 2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;3,7-dihydropurine-6-thione;platinum;tris(aziridin-1-yl)-sulfanylidene-λ5-phosphane
• SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.Nc1nc(=S)c2[nH]cnc2[nH]1.S=P(N1CC1)(N1CC1)N1CC1.S=c1nc[nH]c2nc[nH]c12.[Pt]
• InChI: InChI=1S/C20H22N8O5.C6H12N3PS.C5H5N5S.C5H4N4S.Pt/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;11-10(7-1-2-7,8-3-4-8)9-5-6-9;6-5-9-3-2(4(11)10-5)7-1-8-3;10-5-3-4(7-1-6-3)8-2-9-5;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);1-6H2;1H,(H4,6,7,8,9,10,11);1-2H,(H2,6,7,8,9,10);/t13-;;;;/m0..../s1
• InChIKey: WVIORHIYZZHBPC-AHJYMZSGSA-N
• XLogP: 2.04
• TPSA: 360.31 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1158.13
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;3,7-dihydropurine-6-thione;platinum;tris(aziridin-1-yl)-sulfanylidene-λ5-phosphane?

The IUPAC name of 2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;3,7-dihydropurine-6-thione;platinum;tris(aziridin-1-yl)-sulfanylidene-λ5-phosphane (CID 174858926) is 2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;3,7-dihydropurine-6-thione;platinum;tris(aziridin-1-yl)-sulfanylidene-λ5-phosphane.

What is the SMILES notation for 2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;3,7-dihydropurine-6-thione;platinum;tris(aziridin-1-yl)-sulfanylidene-λ5-phosphane?

The canonical SMILES for 2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;3,7-dihydropurine-6-thione;platinum;tris(aziridin-1-yl)-sulfanylidene-λ5-phosphane is CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.Nc1nc(=S)c2[nH]cnc2[nH]1.S=P(N1CC1)(N1CC1)N1CC1.S=c1nc[nH]c2nc[nH]c12.[Pt].

What is the InChIKey of 2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;3,7-dihydropurine-6-thione;platinum;tris(aziridin-1-yl)-sulfanylidene-λ5-phosphane?

The InChIKey is WVIORHIYZZHBPC-AHJYMZSGSA-N. The full InChI is InChI=1S/C20H22N8O5.C6H12N3PS.C5H5N5S.C5H4N4S.Pt/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;11-10(7-1-2-7,8-3-4-8)9-5-6-9;6-5-9-3-2(4(11)10-5)7-1-8-3;10-5-3-4(7-1-6-3)8-2-9-5;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);1-6H2;1H,(H4,6,7,8,9,10,11);1-2H,(H2,6,7,8,9,10);/t13-;;;;/m0..../s1.

What are the key properties of 2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;3,7-dihydropurine-6-thione;platinum;tris(aziridin-1-yl)-sulfanylidene-λ5-phosphane?

2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;3,7-dihydropurine-6-thione;platinum;tris(aziridin-1-yl)-sulfanylidene-λ5-phosphane has a molecular weight of 1158.13 g/mol, XLogP of 2.04, 12 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3,7-dihydropurine-6-thione;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;3,7-dihydropurine-6-thione;platinum;tris(aziridin-1-yl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 174858926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).