2-[[2-(3-azanylpiperidin-1-yl)-7-methyl-6-oxidanylidene-purin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-(3-azanylpiperidin-1-yl)-7-methyl-6-oxidanylidene-purin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-(3-amino-1-piperidyl)-7-methyl-6-oxo-purin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-(3-amino-1-piperidinyl)-7-methyl-6-oxo-1-purinyl]methyl]benzonitrile IUPAC Name: 2-[[2-(3-aminopiperidin-1-yl)-7-methyl-6-oxopurin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-(3-aminopiperidino)-6-keto-7-methyl-purin-1-yl]methyl]benzonitrile Formula: C19H21N7O MolecularWeight: 363.41634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4C#N

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4C#N

InChI

InChI=1S/C19H21N7O/c1-24-12-22-17-16(24)18(27)26(10-14-6-3-2-5-13(14)9-20)19(23-17)25-8-4-7-15(21)11-25/h2-3,5-6,12,15H,4,7-8,10-11,21H2,1H3