methyl 2,8-bis(oxidanylidene)-9-propan-2-yl-3H-purine-7-carboxylate

Systemtic Name: methyl 2,8-bis(oxidanylidene)-9-propan-2-yl-3H-purine-7-carboxylate Openeye Name: methyl 9-isopropyl-2,8-dioxo-3H-purine-7-carboxylate CAS Name: 2,8-dioxo-9-propan-2-yl-3H-purine-7-carboxylic acid methyl ester IUPAC Name: methyl 2,8-dioxo-9-propan-2-yl-3H-purine-7-carboxylate Traditional Name: 9-isopropyl-2,8-diketo-3H-purine-7-carboxylic acid methyl ester Formula: C10H12N4O4 MolecularWeight: 252.22668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=NC(=O)N2)N(C1=O)C(=O)OC

Isomeric SMILES

CC(C)N1C2=C(C=NC(=O)N2)N(C1=O)C(=O)OC

InChI

InChI=1S/C10H12N4O4/c1-5(2)13-7-6(4-11-8(15)12-7)14(9(13)16)10(17)18-3/h4-5H,1-3H3,(H,11,12,15)