2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-oxidanylideneazepan-3-yl)ethanamide

Systemtic Name: 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-oxidanylideneazepan-3-yl)ethanamide Openeye Name: 2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-oxoazepan-3-yl)acetamide CAS Name: 2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-(2-oxo-3-azepanyl)acetamide IUPAC Name: 2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-oxoazepan-3-yl)acetamide Traditional Name: N-(2-ketoazepan-3-yl)-2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C14H18N6O3 MolecularWeight: 318.33112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3CCCCNC3=O

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3CCCCNC3=O

InChI

InChI=1S/C14H18N6O3/c1-19-12-9(6-17-19)14(23)20(8-16-12)7-11(21)18-10-4-2-3-5-15-13(10)22/h6,8,10H,2-5,7H2,1H3,(H,15,22)(H,18,21)