6,7-dimethoxy-2-[[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[2-keto-2-(4-phenylpiperazino)ethyl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCC(=O)N3CCN(CC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCC(=O)N3CCN(CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H26N4O4S/c1-30-19-12-17-18(13-20(19)31-2)24-21(25-23(17)29)14-32-15-22(28)27-10-8-26(9-11-27)16-6-4-3-5-7-16/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,25,29)