3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[2-(1-methylpyrrol-2-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-6,7-dimethoxy-2-[[2-(1-methyl-2-pyrrolyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[[2-keto-2-(1-methylpyrrol-2-yl)ethyl]thio]-6,7-dimethoxy-quinazolin-4-one Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)CSC2=NC3=CC(=C(C=C3C(=O)N2CCC4=CCCCC4)OC)OC

Isomeric SMILES

CN1C=CC=C1C(=O)CSC2=NC3=CC(=C(C=C3C(=O)N2CCC4=CCCCC4)OC)OC

InChI

InChI=1S/C25H29N3O4S/c1-27-12-7-10-20(27)21(29)16-33-25-26-19-15-23(32-3)22(31-2)14-18(19)24(30)28(25)13-11-17-8-5-4-6-9-17/h7-8,10,12,14-15H,4-6,9,11,13,16H2,1-3H3