3-(2,3-dimethylphenyl)-4-oxidanylidene-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2,3-dimethylphenyl)-4-oxidanylidene-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2,3-dimethylphenyl)-4-oxo-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2,3-dimethylphenyl)-4-oxo-N-[[2-(1-pyrazolyl)-4-pyridinyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2,3-dimethylphenyl)-4-oxo-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2,3-dimethylphenyl)-4-keto-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H22N6O2S MolecularWeight: 482.55688

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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)NCC4=CC(=NC=C4)N5C=CC=N5)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=NC=C4)N5C=CC=N5)NC2=S)C

InChI

InChI=1S/C26H22N6O2S/c1-16-5-3-6-22(17(16)2)32-25(34)20-8-7-19(14-21(20)30-26(32)35)24(33)28-15-18-9-11-27-23(13-18)31-12-4-10-29-31/h3-14H,15H2,1-2H3,(H,28,33)(H,30,35)