3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide

Systemtic Name: 3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide Openeye Name: 3-(1-tert-butyl-6-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(p-tolylmethyl)propanamide CAS Name: 3-(1-tert-butyl-6-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide Traditional Name: 3-(1-tert-butyl-4-keto-6-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-methylbenzyl)propionamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CCN2C(=NC3=C(C2=O)C=NN3C(C)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CCN2C(=NC3=C(C2=O)C=NN3C(C)(C)C)C

InChI

InChI=1S/C21H27N5O2/c1-14-6-8-16(9-7-14)12-22-18(27)10-11-25-15(2)24-19-17(20(25)28)13-23-26(19)21(3,4)5/h6-9,13H,10-12H2,1-5H3,(H,22,27)