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

Systemtic Name: 2-[1,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: 2-[1,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2,6-dioxo-purin-7-yl]acetamide CAS Name: 2-[1,3-dimethyl-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-2,6-dioxo-7-purinyl]acetamide IUPAC Name: 2-[1,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2,6-dioxopurin-7-yl]acetamide Traditional Name: 2-[2,6-diketo-1,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]purin-7-yl]acetamide Formula: C15H24N7O3+ MolecularWeight: 350.39616

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=NC3=C(N2CC(=O)N)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=NC3=C(N2CC(=O)N)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C15H23N7O3/c1-18-4-6-21(7-5-18)9-11-17-13-12(22(11)8-10(16)23)14(24)20(3)15(25)19(13)2/h4-9H2,1-3H3,(H2,16,23)/p+1