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

Systemtic Name: 2-[[8-(3-azanylpiperidin-1-yl)-1-methyl-2,6-bis(oxidanylidene)-3-phenyl-purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[8-(3-amino-1-piperidyl)-1-methyl-2,6-dioxo-3-phenyl-purin-7-yl]methyl]benzonitrile CAS Name: 2-[[8-(3-amino-1-piperidinyl)-1-methyl-2,6-dioxo-3-phenyl-7-purinyl]methyl]benzonitrile IUPAC Name: 2-[[8-(3-aminopiperidin-1-yl)-1-methyl-2,6-dioxo-3-phenylpurin-7-yl]methyl]benzonitrile Traditional Name: 2-[[8-(3-aminopiperidino)-2,6-diketo-1-methyl-3-phenyl-purin-7-yl]methyl]benzonitrile Formula: C25H25N7O2 MolecularWeight: 455.5117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3C#N)N4CCCC(C4)N)N(C1=O)C5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3C#N)N4CCCC(C4)N)N(C1=O)C5=CC=CC=C5

InChI

InChI=1S/C25H25N7O2/c1-29-23(33)21-22(32(25(29)34)20-11-3-2-4-12-20)28-24(30-13-7-10-19(27)16-30)31(21)15-18-9-6-5-8-17(18)14-26/h2-6,8-9,11-12,19H,7,10,13,15-16,27H2,1H3