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

Systemtic Name: methyl 1,3-dimethyl-2,4,7-tris(oxidanylidene)-5-pentyl-purino[9,8-a]pyrimidine-9-carboxylate Openeye Name: methyl 1,3-dimethyl-2,4,7-trioxo-5-pentyl-purino[9,8-a]pyrimidine-9-carboxylate CAS Name: 1,3-dimethyl-2,4,7-trioxo-5-pentyl-9-purino[9,8-a]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 1,3-dimethyl-2,4,7-trioxo-5-pentylpurino[9,8-a]pyrimidine-9-carboxylate Traditional Name: 5-amyl-2,4,7-triketo-1,3-dimethyl-purino[9,8-a]pyrimidine-9-carboxylic acid methyl ester Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N(C(=O)N(C2=O)C)C)N3C1=NC(=O)C=C3C(=O)OC

Isomeric SMILES

CCCCCN1C2=C(N(C(=O)N(C2=O)C)C)N3C1=NC(=O)C=C3C(=O)OC

InChI

InChI=1S/C17H21N5O5/c1-5-6-7-8-21-12-13(19(2)17(26)20(3)14(12)24)22-10(15(25)27-4)9-11(23)18-16(21)22/h9H,5-8H2,1-4H3