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

Systemtic Name: N-[1-(3,4-dimethylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-2,4-dimethoxy-benzamide Openeye Name: N-[1-(3,4-dimethylphenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-2,4-dimethoxy-benzamide CAS Name: N-[1-(3,4-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-2,4-dimethoxybenzamide IUPAC Name: N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-2,4-dimethoxybenzamide Traditional Name: N-[1-(3,4-dimethylphenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]-2,4-dimethoxy-benzamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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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=C(C=C(C=C4)OC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O4/c1-13-5-6-15(9-14(13)2)27-20-18(11-24-27)22(29)26(12-23-20)25-21(28)17-8-7-16(30-3)10-19(17)31-4/h5-12H,1-4H3,(H,25,28)