4-[[8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]methyl]-2-nitro-benzenecarbonitrile

Systemtic Name: 4-[[8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]methyl]-2-nitro-benzenecarbonitrile Openeye Name: 4-[[8-(3-amino-1-piperidyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-1-yl]methyl]-2-nitro-benzonitrile CAS Name: 4-[[8-(3-amino-1-piperidinyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-1-purinyl]methyl]-2-nitrobenzonitrile IUPAC Name: 4-[[8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]methyl]-2-nitrobenzonitrile Traditional Name: 4-[[8-(3-aminopiperidino)-7-but-2-ynyl-2,6-diketo-3-methyl-purin-1-yl]methyl]-2-nitro-benzonitrile Formula: C23H24N8O4 MolecularWeight: 476.48786

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=CC(=C(C=C4)C#N)[N+](=O)[O-])C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)C#N)[N+](=O)[O-])C

InChI

InChI=1S/C23H24N8O4/c1-3-4-10-29-19-20(26-22(29)28-9-5-6-17(25)14-28)27(2)23(33)30(21(19)32)13-15-7-8-16(12-24)18(11-15)31(34)35/h7-8,11,17H,5-6,9-10,13-14,25H2,1-2H3