2-chloranyl-N-[1-(3,4-dimethylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]benzamide

Systemtic Name: 2-chloranyl-N-[1-(3,4-dimethylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]benzamide Openeye Name: 2-chloro-N-[1-(3,4-dimethylphenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]benzamide CAS Name: 2-chloro-N-[1-(3,4-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]benzamide IUPAC Name: 2-chloro-N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]benzamide Traditional Name: 2-chloro-N-[1-(3,4-dimethylphenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]benzamide Formula: C20H16ClN5O2 MolecularWeight: 393.82634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC(=O)C4=CC=CC=C4Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC(=O)C4=CC=CC=C4Cl)C

InChI

InChI=1S/C20H16ClN5O2/c1-12-7-8-14(9-13(12)2)26-18-16(10-23-26)20(28)25(11-22-18)24-19(27)15-5-3-4-6-17(15)21/h3-11H,1-2H3,(H,24,27)