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

Systemtic Name: propyl 1,3-dimethyl-2,4,7-tris(oxidanylidene)-5-prop-2-enyl-purino[9,8-a]pyrimidine-9-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C17H19N5O5 MolecularWeight: 373.36326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O5/c1-5-7-21-12-13(19(3)17(26)20(4)14(12)24)22-10(15(25)27-8-6-2)9-11(23)18-16(21)22/h5,9H,1,6-8H2,2-4H3