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

Systemtic Name: N-butan-2-yl-2-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]benzamide Openeye Name: 2-[[2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[[2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzamide Traditional Name: 2-[[2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-N-sec-butyl-benzamide Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C19H22N6O3/c1-4-12(2)22-18(27)13-7-5-6-8-15(13)23-16(26)10-25-11-20-17-14(19(25)28)9-21-24(17)3/h5-9,11-12H,4,10H2,1-3H3,(H,22,27)(H,23,26)