methyl 4-oxidanylidene-3-[[4-(4-pyridin-2-ylpiperazin-1-yl)carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-[[4-(4-pyridin-2-ylpiperazin-1-yl)carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-[[4-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[[4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[4-[4-(2-pyridyl)piperazine-1-carbonyl]benzyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C27H25N5O4S MolecularWeight: 515.5835

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C27H25N5O4S/c1-36-26(35)20-9-10-21-22(16-20)29-27(37)32(25(21)34)17-18-5-7-19(8-6-18)24(33)31-14-12-30(13-15-31)23-4-2-3-11-28-23/h2-11,16H,12-15,17H2,1H3,(H,29,37)