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

Systemtic Name: 3-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]-4-piperidin-1-yl-benzamide Openeye Name: 3-[[2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-4-(1-piperidyl)benzamide CAS Name: 3-[[2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]amino]-4-(1-piperidinyl)benzamide IUPAC Name: 3-[[2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-4-piperidin-1-ylbenzamide Traditional Name: 3-[[2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-4-piperidino-benzamide Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)N4CCCCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)N4CCCCC4

InChI

InChI=1S/C20H23N7O3/c1-25-19-14(10-23-25)20(30)27(12-22-19)11-17(28)24-15-9-13(18(21)29)5-6-16(15)26-7-3-2-4-8-26/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H2,21,29)(H,24,28)