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

Systemtic Name: ethyl 1,3-dimethyl-2,4,7-tris(oxidanylidene)-5-prop-2-enyl-purino[9,8-a]pyrimidine-9-carboxylate Openeye Name: ethyl 5-allyl-1,3-dimethyl-2,4,7-trioxo-purino[9,8-a]pyrimidine-9-carboxylate CAS Name: 1,3-dimethyl-2,4,7-trioxo-5-prop-2-enyl-9-purino[9,8-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1,3-dimethyl-2,4,7-trioxo-5-prop-2-enylpurino[9,8-a]pyrimidine-9-carboxylate Traditional Name: 5-allyl-2,4,7-triketo-1,3-dimethyl-purino[9,8-a]pyrimidine-9-carboxylic acid ethyl ester Formula: C16H17N5O5 MolecularWeight: 359.33668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)N=C2N1C3=C(N2CC=C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC(=O)C1=CC(=O)N=C2N1C3=C(N2CC=C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H17N5O5/c1-5-7-20-11-12(18(3)16(25)19(4)13(11)23)21-9(14(24)26-6-2)8-10(22)17-15(20)21/h5,8H,1,6-7H2,2-4H3