5-azanyl-2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6H-pyrimido[4,5-d]pyrimidine-7-thione hydrochloride

Systemtic Name: 5-azanyl-2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6H-pyrimido[4,5-d]pyrimidine-7-thione hydrochloride Openeye Name: 5-amino-2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6H-pyrimido[4,5-d]pyrimidine-7-thione hydrochloride CAS Name: 5-amino-2-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-6H-pyrimido[4,5-d]pyrimidine-7-thione hydrochloride IUPAC Name: 5-amino-2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6H-pyrimido[4,5-d]pyrimidine-7-thione hydrochloride Traditional Name: 5-amino-2-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-6H-pyrimido[4,5-d]pyrimidine-7-thione hydrochloride Formula: C20H16ClN7S2 MolecularWeight: 453.97094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC3=NC(=S)NC(=C23)N)SCC4=NC5=CC=CC=C5N4.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC3=NC(=S)NC(=C23)N)SCC4=NC5=CC=CC=C5N4.Cl

InChI

InChI=1S/C20H15N7S2.ClH/c21-17-15-16(11-6-2-1-3-7-11)24-20(27-18(15)26-19(28)25-17)29-10-14-22-12-8-4-5-9-13(12)23-14;/h1-9H,10H2,(H,22,23)(H3,21,24,25,26,27,28);1H