N-[1-(3,4-dimethylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-3,3-diphenyl-propanamide

Systemtic Name: N-[1-(3,4-dimethylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-3,3-diphenyl-propanamide Openeye Name: N-[1-(3,4-dimethylphenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-3,3-diphenyl-propanamide CAS Name: N-[1-(3,4-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-3,3-diphenylpropanamide IUPAC Name: N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-3,3-diphenylpropanamide Traditional Name: N-[1-(3,4-dimethylphenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]-3,3-diphenyl-propionamide Formula: C28H25N5O2 MolecularWeight: 463.5304

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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)CC(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H25N5O2/c1-19-13-14-23(15-20(19)2)33-27-25(17-30-33)28(35)32(18-29-27)31-26(34)16-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-15,17-18,24H,16H2,1-2H3,(H,31,34)