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

Systemtic Name: N-methyl-2-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Openeye Name: N-methyl-2-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide CAS Name: N-methyl-2-[[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]benzamide IUPAC Name: N-methyl-2-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Traditional Name: 2-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-N-methyl-benzamide Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O3/c1-18-16(25)11-5-3-4-6-13(11)21-14(24)7-8-23-10-19-15-12(17(23)26)9-20-22(15)2/h3-6,9-10H,7-8H2,1-2H3,(H,18,25)(H,21,24)