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

Systemtic Name: 3-[1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[1-methyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-keto-1-methyl-2-[4-(2-pyrimidyl)piperazino]ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)N3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C19H20N6O2S/c1-13(25-17(27)14-5-2-3-6-15(14)22-19(25)28)16(26)23-9-11-24(12-10-23)18-20-7-4-8-21-18/h2-8,13H,9-12H2,1H3,(H,22,28)