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

Systemtic Name: 3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(pyridin-4-ylmethyl)propanamide Openeye Name: 3-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-pyridylmethyl)propanamide CAS Name: 3-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-N-(pyridin-4-ylmethyl)propanamide IUPAC Name: 3-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)-N-(pyridin-4-ylmethyl)propanamide Traditional Name: 3-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-pyridylmethyl)propionamide Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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