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

Systemtic Name: N-cyclopropyl-3-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]benzamide Openeye Name: N-cyclopropyl-3-[[2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzamide CAS Name: N-cyclopropyl-3-[[2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopropyl-3-[[2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzamide Traditional Name: N-cyclopropyl-3-[[2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzamide Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

InChI

InChI=1S/C18H18N6O3/c1-23-16-14(8-20-23)18(27)24(10-19-16)9-15(25)21-13-4-2-3-11(7-13)17(26)22-12-5-6-12/h2-4,7-8,10,12H,5-6,9H2,1H3,(H,21,25)(H,22,26)