N-[1-(3-acetamidophenyl)ethyl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-[1-(3-acetamidophenyl)ethyl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-[1-(3-acetamidophenyl)ethyl]-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-[1-(3-acetamidophenyl)ethyl]-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-[1-(3-acetamidophenyl)ethyl]-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-[1-(3-acetamidophenyl)ethyl]-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC(=O)C)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CC(C1=CC(=CC=C1)NC(=O)C)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C19H22N6O3/c1-12(14-5-4-6-15(9-14)23-13(2)26)22-17(27)7-8-25-11-20-18-16(19(25)28)10-21-24(18)3/h4-6,9-12H,7-8H2,1-3H3,(H,22,27)(H,23,26)