methyl 1,3-dimethyl-2,4,7-tris(oxidanylidene)-5-propyl-purino[9,8-a]pyrimidine-9-carboxylate

Systemtic Name: methyl 1,3-dimethyl-2,4,7-tris(oxidanylidene)-5-propyl-purino[9,8-a]pyrimidine-9-carboxylate Openeye Name: methyl 1,3-dimethyl-2,4,7-trioxo-5-propyl-purino[9,8-a]pyrimidine-9-carboxylate CAS Name: 1,3-dimethyl-2,4,7-trioxo-5-propyl-9-purino[9,8-a]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 1,3-dimethyl-2,4,7-trioxo-5-propylpurino[9,8-a]pyrimidine-9-carboxylate Traditional Name: 2,4,7-triketo-1,3-dimethyl-5-propyl-purino[9,8-a]pyrimidine-9-carboxylic acid methyl ester Formula: C15H17N5O5 MolecularWeight: 347.32598

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N(C(=O)N(C2=O)C)C)N3C1=NC(=O)C=C3C(=O)OC

Isomeric SMILES

CCCN1C2=C(N(C(=O)N(C2=O)C)C)N3C1=NC(=O)C=C3C(=O)OC

InChI

InChI=1S/C15H17N5O5/c1-5-6-19-10-11(17(2)15(24)18(3)12(10)22)20-8(13(23)25-4)7-9(21)16-14(19)20/h7H,5-6H2,1-4H3