3-(2,3-dimethylphenyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2,3-dimethylphenyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2,3-dimethylphenyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2,3-dimethylphenyl)-N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2,3-dimethylphenyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2,3-dimethylphenyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H22N6O2S MolecularWeight: 470.54618

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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)NC4=CN=C5C(=C4)C(=NN5C)C)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CN=C5C(=C4)C(=NN5C)C)NC2=S)C

InChI

InChI=1S/C25H22N6O2S/c1-13-6-5-7-21(14(13)2)31-24(33)18-9-8-16(10-20(18)28-25(31)34)23(32)27-17-11-19-15(3)29-30(4)22(19)26-12-17/h5-12H,1-4H3,(H,27,32)(H,28,34)