2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-6-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-6-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-6-chloro-1H-quinazolin-4-one CAS Name: 2-[[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-6-chloro-1H-quinazolin-4-one IUPAC Name: 2-[(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-6-chloro-1H-quinazolin-4-one Traditional Name: 2-[[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-6-chloro-1H-quinazolin-4-one Formula: C18H21ClN4OS MolecularWeight: 376.90354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C)C

InChI

InChI=1S/C18H21ClN4OS/c1-4-5-8-23-12(3)11(2)20-18(23)25-10-16-21-15-7-6-13(19)9-14(15)17(24)22-16/h6-7,9H,4-5,8,10H2,1-3H3,(H,21,22,24)