3-[3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile

Systemtic Name: 3-[3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile Openeye Name: 3-[3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-2,6-dioxo-purin-7-yl]propanenitrile CAS Name: 3-[3-methyl-8-(4-methyl-1-piperazin-4-iumyl)-2,6-dioxo-7-purinyl]propanenitrile IUPAC Name: 3-[3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-2,6-dioxopurin-7-yl]propanenitrile Traditional Name: 3-[2,6-diketo-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purin-7-yl]propionitrile Formula: C14H20N7O2+ MolecularWeight: 318.3543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(N2CCC#N)C(=O)NC(=O)N3C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(N2CCC#N)C(=O)NC(=O)N3C

InChI

InChI=1S/C14H19N7O2/c1-18-6-8-20(9-7-18)13-16-11-10(21(13)5-3-4-15)12(22)17-14(23)19(11)2/h3,5-9H2,1-2H3,(H,17,22,23)/p+1