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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC(C3)N)C(CC(=O)C4=CC=CC=C4)C5=CC=CC=C5C#N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC(C3)N)C(CC(=O)C4=CC=CC=C4)C5=CC=CC=C5C#N

InChI

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