3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-[4-(2-methoxyphenyl)-1-piperazinyl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-keto-6-[4-(2-methoxyphenyl)piperazino]hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C25H30N4O3S/c1-32-22-12-7-6-11-21(22)27-15-17-28(18-16-27)23(30)13-3-2-8-14-29-24(31)19-9-4-5-10-20(19)26-25(29)33/h4-7,9-12H,2-3,8,13-18H2,1H3,(H,26,33)