3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(phenylmethyl)propanamide

Systemtic Name: 3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: 3-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-benzyl-3-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2/c1-16-25-21-19(15-24-27(21)18-10-6-3-7-11-18)22(29)26(16)13-12-20(28)23-14-17-8-4-2-5-9-17/h2-11,15H,12-14H2,1H3,(H,23,28)