3-[2-(cyclohexen-1-yl)ethyl]-7-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[4-(2-pyridyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-7-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[4-(2-pyridyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5)NC2=S

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5)NC2=S

InChI

InChI=1S/C26H29N5O2S/c32-24(30-16-14-29(15-17-30)23-8-4-5-12-27-23)20-9-10-21-22(18-20)28-26(34)31(25(21)33)13-11-19-6-2-1-3-7-19/h4-6,8-10,12,18H,1-3,7,11,13-17H2,(H,28,34)