(3R)-1-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3R)-1-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3R)-1-[2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3R)-1-[2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3R)-1-[2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3R)-1-[2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]-N-phenyl-nipecotamide Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCCC(C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCC[C@H](C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H22N6O3/c1-24-18-16(10-22-24)20(29)26(13-21-18)12-17(27)25-9-5-6-14(11-25)19(28)23-15-7-3-2-4-8-15/h2-4,7-8,10,13-14H,5-6,9,11-12H2,1H3,(H,23,28)/t14-/m1/s1