2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC)C)C

InChI

InChI=1S/C20H26N4O3S/c1-6-7-8-24-13(3)12(2)21-20(24)28-11-18-22-15-10-17(27-5)16(26-4)9-14(15)19(25)23-18/h9-10H,6-8,11H2,1-5H3,(H,22,23,25)