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

Systemtic Name: methyl 5-butyl-1,3-dimethyl-2,4,7-tris(oxidanylidene)purino[9,8-a]pyrimidine-9-carboxylate Openeye Name: methyl 5-butyl-1,3-dimethyl-2,4,7-trioxo-purino[9,8-a]pyrimidine-9-carboxylate CAS Name: 5-butyl-1,3-dimethyl-2,4,7-trioxo-9-purino[9,8-a]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-butyl-1,3-dimethyl-2,4,7-trioxopurino[9,8-a]pyrimidine-9-carboxylate Traditional Name: 5-butyl-2,4,7-triketo-1,3-dimethyl-purino[9,8-a]pyrimidine-9-carboxylic acid methyl ester Formula: C16H19N5O5 MolecularWeight: 361.35256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N(C(=O)N(C2=O)C)C)N3C1=NC(=O)C=C3C(=O)OC

Isomeric SMILES

CCCCN1C2=C(N(C(=O)N(C2=O)C)C)N3C1=NC(=O)C=C3C(=O)OC

InChI

InChI=1S/C16H19N5O5/c1-5-6-7-20-11-12(18(2)16(25)19(3)13(11)23)21-9(14(24)26-4)8-10(22)17-15(20)21/h8H,5-7H2,1-4H3