2-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-N-(2-methylpropyl)benzamide

Systemtic Name: 2-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-N-(2-methylpropyl)benzamide Openeye Name: N-isobutyl-2-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide CAS Name: 2-[[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]-N-(2-methylpropyl)benzamide IUPAC Name: 2-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-N-(2-methylpropyl)benzamide Traditional Name: N-isobutyl-2-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C20H24N6O3/c1-13(2)10-21-19(28)14-6-4-5-7-16(14)24-17(27)8-9-26-12-22-18-15(20(26)29)11-23-25(18)3/h4-7,11-13H,8-10H2,1-3H3,(H,21,28)(H,24,27)