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

Systemtic Name: 2-[[8-(3-azanylpiperidin-1-yl)-3-methyl-2,6-bis(oxidanylidene)-1-phenacyl-purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[8-(3-amino-1-piperidyl)-3-methyl-2,6-dioxo-1-phenacyl-purin-7-yl]methyl]benzonitrile CAS Name: 2-[[8-(3-amino-1-piperidinyl)-3-methyl-2,6-dioxo-1-phenacyl-7-purinyl]methyl]benzonitrile IUPAC Name: 2-[[8-(3-aminopiperidin-1-yl)-3-methyl-2,6-dioxo-1-phenacylpurin-7-yl]methyl]benzonitrile Traditional Name: 2-[[8-(3-aminopiperidino)-2,6-diketo-3-methyl-1-phenacyl-purin-7-yl]methyl]benzonitrile Formula: C27H27N7O3 MolecularWeight: 497.54838

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5C#N

InChI

InChI=1S/C27H27N7O3/c1-31-24-23(25(36)34(27(31)37)17-22(35)18-8-3-2-4-9-18)33(15-20-11-6-5-10-19(20)14-28)26(30-24)32-13-7-12-21(29)16-32/h2-6,8-11,21H,7,12-13,15-17,29H2,1H3