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

Systemtic Name: 3-methyl-7-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-methyl-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-methyl-7-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-methyl-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-methyl-7-[4-(2-pyrimidyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)NC1=S

InChI

InChI=1S/C18H18N6O2S/c1-22-16(26)13-4-3-12(11-14(13)21-18(22)27)15(25)23-7-9-24(10-8-23)17-19-5-2-6-20-17/h2-6,11H,7-10H2,1H3,(H,21,27)