2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)-8-methyl-1H-quinazolin-4-one hydrochloride

Systemtic Name: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)-8-methyl-1H-quinazolin-4-one hydrochloride Openeye Name: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)-8-methyl-1H-quinazolin-4-one hydrochloride CAS Name: 2-[(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylthio)methyl]-8-methyl-1H-quinazolin-4-one hydrochloride IUPAC Name: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)-8-methyl-1H-quinazolin-4-one hydrochloride Traditional Name: 2-[(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylthio)methyl]-8-methyl-1H-quinazolin-4-one hydrochloride Formula: C17H21ClN4OS MolecularWeight: 364.89284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC4CCCCC4N3.Cl

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC4CCCCC4N3.Cl

InChI

InChI=1S/C17H20N4OS.ClH/c1-10-5-4-6-11-15(10)20-14(21-16(11)22)9-23-17-18-12-7-2-3-8-13(12)19-17;/h4-6,12-13H,2-3,7-9H2,1H3,(H,18,19)(H,20,21,22);1H