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

Systemtic Name: N-[3-(benzimidazol-1-yl)propyl]-2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-[3-(benzimidazol-1-yl)propyl]-2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-[3-(1-benzimidazolyl)propyl]-2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-[3-(benzimidazol-1-yl)propyl]-2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-[3-(benzimidazol-1-yl)propyl]-2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCCCN3C=NC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCCCN3C=NC4=CC=CC=C43

InChI

InChI=1S/C18H19N7O2/c1-23-17-13(9-22-23)18(27)25(12-21-17)10-16(26)19-7-4-8-24-11-20-14-5-2-3-6-15(14)24/h2-3,5-6,9,11-12H,4,7-8,10H2,1H3,(H,19,26)