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

Systemtic Name: 6,7-dimethoxy-2-[[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C22H25N5O4S MolecularWeight: 455.53

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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=N4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCC(=O)N3CCN(CC3)C4=CC=CC=N4)OC

InChI

InChI=1S/C22H25N5O4S/c1-30-17-11-15-16(12-18(17)31-2)24-19(25-22(15)29)13-32-14-21(28)27-9-7-26(8-10-27)20-5-3-4-6-23-20/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,24,25,29)