2-[[2-(3-azanylpiperidin-1-yl)-9-methyl-6-oxidanylidene-purin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-(3-azanylpiperidin-1-yl)-9-methyl-6-oxidanylidene-purin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-(3-amino-1-piperidyl)-9-methyl-6-oxo-purin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-(3-amino-1-piperidinyl)-9-methyl-6-oxo-1-purinyl]methyl]benzonitrile IUPAC Name: 2-[[2-(3-aminopiperidin-1-yl)-9-methyl-6-oxopurin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-(3-aminopiperidino)-6-keto-9-methyl-purin-1-yl]methyl]benzonitrile Formula: C19H21N7O MolecularWeight: 363.41634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N(C2=O)CC3=CC=CC=C3C#N)N4CCCC(C4)N

Isomeric SMILES

CN1C=NC2=C1N=C(N(C2=O)CC3=CC=CC=C3C#N)N4CCCC(C4)N

InChI

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