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

Systemtic Name: methyl 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C16H23N5O5 MolecularWeight: 365.38432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

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