3-phenyl-7-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-phenyl-7-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-phenyl-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-phenyl-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-phenyl-7-[4-(2-pyrimidyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C23H20N6O2S MolecularWeight: 444.5089

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5=CC=CC=C5

InChI

InChI=1S/C23H20N6O2S/c30-20(27-11-13-28(14-12-27)22-24-9-4-10-25-22)16-7-8-18-19(15-16)26-23(32)29(21(18)31)17-5-2-1-3-6-17/h1-10,15H,11-14H2,(H,26,32)