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

Systemtic Name: 3-(2,3-dimethylphenyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(2,3-dimethylphenyl)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(2,3-dimethylphenyl)-7-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(2,3-dimethylphenyl)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(2,3-dimethylphenyl)-7-[4-(2-pyrimidyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H24N6O2S MolecularWeight: 472.56206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5)NC2=S)C

InChI

InChI=1S/C25H24N6O2S/c1-16-5-3-6-21(17(16)2)31-23(33)19-8-7-18(15-20(19)28-25(31)34)22(32)29-11-13-30(14-12-29)24-26-9-4-10-27-24/h3-10,15H,11-14H2,1-2H3,(H,28,34)