methyl 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-(2,6-diketo-1,3-dimethyl-9H-purin-7-ium-7-yl)acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C16H24N5O5+ MolecularWeight: 366.39226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C[N+]1=CNC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C[N+]1=CNC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H23N5O5/c1-9(2)6-10(15(24)26-5)18-11(22)7-21-8-17-13-12(21)14(23)20(4)16(25)19(13)3/h8-10H,6-7H2,1-5H3,(H,18,22)/p+1