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

Systemtic Name: 2-[[8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]methyl]pyridine-3-carbonitrile Openeye Name: 2-[[8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-1-yl]methyl]pyridine-3-carbonitrile CAS Name: 2-[[8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-3-methyl-2,6-dioxo-1-purinyl]methyl]-3-pyridinecarbonitrile IUPAC Name: 2-[[8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]methyl]pyridine-3-carbonitrile Traditional Name: 2-[[8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-2,6-diketo-3-methyl-purin-1-yl]methyl]nicotinonitrile Formula: C22H24N8O2 MolecularWeight: 432.47836

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=C(C=CC=N4)C#N)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=C(C=CC=N4)C#N)C

InChI

InChI=1S/C22H24N8O2/c1-3-4-11-29-18-19(26-21(29)28-10-6-8-16(24)13-28)27(2)22(32)30(20(18)31)14-17-15(12-23)7-5-9-25-17/h5,7,9,16H,6,8,10-11,13-14,24H2,1-2H3/t16-/m1/s1