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

Systemtic Name: 2-[[7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]methyl]benzenecarbonitrile Openeye Name: 2-[(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-yl-purin-3-yl)methyl]benzonitrile CAS Name: 2-[[7-but-2-ynyl-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]methyl]benzonitrile IUPAC Name: 2-[(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)methyl]benzonitrile Traditional Name: 2-[(7-but-2-ynyl-2,6-diketo-1-methyl-8-piperazino-purin-3-yl)methyl]benzonitrile Formula: C22H23N7O2 MolecularWeight: 417.46372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CC4=CC=CC=C4C#N

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CC4=CC=CC=C4C#N

InChI

InChI=1S/C22H23N7O2/c1-3-4-11-28-18-19(25-21(28)27-12-9-24-10-13-27)29(22(31)26(2)20(18)30)15-17-8-6-5-7-16(17)14-23/h5-8,24H,9-13,15H2,1-2H3