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

Systemtic Name: 3-[1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile Openeye Name: 3-[1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-2,6-dioxo-purin-7-yl]propanenitrile CAS Name: 3-[1,3-dimethyl-8-(4-methyl-1-piperazin-4-iumyl)-2,6-dioxo-7-purinyl]propanenitrile IUPAC Name: 3-[1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-2,6-dioxopurin-7-yl]propanenitrile Traditional Name: 3-[2,6-diketo-1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)purin-7-yl]propionitrile Formula: C15H22N7O2+ MolecularWeight: 332.38088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N7O2/c1-18-7-9-21(10-8-18)14-17-12-11(22(14)6-4-5-16)13(23)20(3)15(24)19(12)2/h4,6-10H2,1-3H3/p+1