3-azanyl-2-(1H-benzimidazol-2-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-azanyl-2-(1H-benzimidazol-2-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-amino-2-(1H-benzimidazol-2-ylmethylsulfanyl)quinazolin-4-one CAS Name: 3-amino-2-(1H-benzimidazol-2-ylmethylthio)-4-quinazolinone IUPAC Name: 3-amino-2-(1H-benzimidazol-2-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-amino-2-(1H-benzimidazol-2-ylmethylthio)quinazolin-4-one Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4N3)N

InChI

InChI=1S/C16H13N5OS/c17-21-15(22)10-5-1-2-6-11(10)20-16(21)23-9-14-18-12-7-3-4-8-13(12)19-14/h1-8H,9,17H2,(H,18,19)