3-[3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-oxo-3-[4-(2-pyridyl)piperazin-1-yl]propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-keto-3-[4-(2-pyridyl)piperazino]propyl]-2-thioxo-1H-quinazolin-4-one Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C20H21N5O2S/c26-18(24-13-11-23(12-14-24)17-7-3-4-9-21-17)8-10-25-19(27)15-5-1-2-6-16(15)22-20(25)28/h1-7,9H,8,10-14H2,(H,22,28)