3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[phenyl(2-pyridyl)methyl]propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[phenyl(2-pyridinyl)methyl]propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[phenyl(2-pyridyl)methyl]propionamide Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C21H20N6O2/c1-26-20-16(13-24-26)21(29)27(14-23-20)12-10-18(28)25-19(15-7-3-2-4-8-15)17-9-5-6-11-22-17/h2-9,11,13-14,19H,10,12H2,1H3,(H,25,28)