2-[[8-(3-azanylpiperidin-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[8-(3-azanylpiperidin-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[8-(3-amino-1-piperidyl)-3-methyl-2,6-dioxo-purin-7-yl]methyl]benzonitrile CAS Name: 2-[[8-(3-amino-1-piperidinyl)-3-methyl-2,6-dioxo-7-purinyl]methyl]benzonitrile IUPAC Name: 2-[[8-(3-aminopiperidin-1-yl)-3-methyl-2,6-dioxopurin-7-yl]methyl]benzonitrile Traditional Name: 2-[[8-(3-aminopiperidino)-2,6-diketo-3-methyl-purin-7-yl]methyl]benzonitrile Formula: C19H21N7O2 MolecularWeight: 379.41574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4C#N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4C#N

InChI

InChI=1S/C19H21N7O2/c1-24-16-15(17(27)23-19(24)28)26(10-13-6-3-2-5-12(13)9-20)18(22-16)25-8-4-7-14(21)11-25/h2-3,5-6,14H,4,7-8,10-11,21H2,1H3,(H,23,27,28)