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

Systemtic Name: 6-[[8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]methyl]pyridine-3-carbonitrile Openeye Name: 6-[[8-(3-amino-1-piperidyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-1-yl]methyl]pyridine-3-carbonitrile CAS Name: 6-[[8-(3-amino-1-piperidinyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-1-purinyl]methyl]-3-pyridinecarbonitrile IUPAC Name: 6-[[8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]methyl]pyridine-3-carbonitrile Traditional Name: 6-[[8-(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=NC=C(C=C4)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N8O2/c1-3-4-10-29-18-19(26-21(29)28-9-5-6-16(24)13-28)27(2)22(32)30(20(18)31)14-17-8-7-15(11-23)12-25-17/h7-8,12,16H,5-6,9-10,13-14,24H2,1-2H3