O1-methyl O3-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl] propanedioate

Systemtic Name: O1-methyl O3-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl] propanedioate Openeye Name: O1-methyl O3-[(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)methyl] propanedioate CAS Name: propanedioic acid O1-methyl ester O3-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)methyl] ester IUPAC Name: 1-O-methyl 3-O-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)methyl] propanedioate Traditional Name: malonic acid O3-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)methyl] ester O1-methyl ester Formula: C13H16N4O6 MolecularWeight: 324.28934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)COC(=O)CC(=O)OC

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)COC(=O)CC(=O)OC

InChI

InChI=1S/C13H16N4O6/c1-15-7(6-23-9(19)5-8(18)22-4)14-11-10(15)12(20)17(3)13(21)16(11)2/h5-6H2,1-4H3