5-[[8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-2,6-bis(oxidanylidene)-3-phenyl-purin-1-yl]methyl]pyridine-3-carbonitrile

Systemtic Name: 5-[[8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-2,6-bis(oxidanylidene)-3-phenyl-purin-1-yl]methyl]pyridine-3-carbonitrile Openeye Name: 5-[[8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-2,6-dioxo-3-phenyl-purin-1-yl]methyl]pyridine-3-carbonitrile CAS Name: 5-[[8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-2,6-dioxo-3-phenyl-1-purinyl]methyl]-3-pyridinecarbonitrile IUPAC Name: 5-[[8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-2,6-dioxo-3-phenylpurin-1-yl]methyl]pyridine-3-carbonitrile Traditional Name: 5-[[8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-2,6-diketo-3-phenyl-purin-1-yl]methyl]nicotinonitrile Formula: C27H26N8O2 MolecularWeight: 494.54774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=CN=CC(=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=CN=CC(=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C27H26N8O2/c1-2-3-12-33-23-24(31-26(33)32-11-7-8-21(29)18-32)35(22-9-5-4-6-10-22)27(37)34(25(23)36)17-20-13-19(14-28)15-30-16-20/h4-6,9-10,13,15-16,21H,7-8,11-12,17-18,29H2,1H3/t21-/m1/s1