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

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-oxidanylideneazepan-3-yl)propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-oxoazepan-3-yl)propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-(2-oxo-3-azepanyl)propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-oxoazepan-3-yl)propanamide Traditional Name: N-(2-ketoazepan-3-yl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C15H20N6O3 MolecularWeight: 332.3577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N6O3/c1-20-13-10(8-18-20)15(24)21(9-17-13)7-5-12(22)19-11-4-2-3-6-16-14(11)23/h8-9,11H,2-7H2,1H3,(H,16,23)(H,19,22)