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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O3/c1-4-13(2)23-19(28)14-7-5-6-8-16(14)24-17(27)9-10-26-12-21-18-15(20(26)29)11-22-25(18)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,23,28)(H,24,27)