2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-quinazolin-4-one

Systemtic Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-quinazolin-4-one Openeye Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1H-quinazolin-4-one CAS Name: 2-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-1H-quinazolin-4-one IUPAC Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1H-quinazolin-4-one Traditional Name: 2-[[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]thio]-1H-quinazolin-4-one Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H22N4O3S/c1-28-18-9-5-4-8-17(18)24-10-12-25(13-11-24)19(26)14-29-21-22-16-7-3-2-6-15(16)20(27)23-21/h2-9H,10-14H2,1H3,(H,22,23,27)