5-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]isophthalamide Formula: C16H15N7O4 MolecularWeight: 369.3348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N

InChI

InChI=1S/C16H15N7O4/c1-22-15-11(5-20-22)16(27)23(7-19-15)6-12(24)21-10-3-8(13(17)25)2-9(4-10)14(18)26/h2-5,7H,6H2,1H3,(H2,17,25)(H2,18,26)(H,21,24)