methyl 10-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-9-oxidanylidene-1H-pyrido[2,1-f]purine-8-carboxylate

Systemtic Name: methyl 10-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-9-oxidanylidene-1H-pyrido[2,1-f]purine-8-carboxylate Openeye Name: methyl 10-[(E)-3-methoxy-3-oxo-prop-1-enyl]-9-oxo-1H-pyrido[2,1-f]purine-8-carboxylate CAS Name: 10-[(E)-3-methoxy-3-oxoprop-1-enyl]-9-oxo-1H-pyrido[2,1-f]purine-8-carboxylic acid methyl ester IUPAC Name: methyl 10-[(E)-3-methoxy-3-oxoprop-1-enyl]-9-oxo-1H-pyrido[2,1-f]purine-8-carboxylate Traditional Name: 9-keto-10-[(E)-3-keto-3-methoxy-prop-1-enyl]-1H-pyrido[2,1-f]purine-8-carboxylic acid methyl ester Formula: C15H12N4O5 MolecularWeight: 328.27958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C2C3=C(N=CN3)N=CN2C=C(C1=O)C(=O)OC

Isomeric SMILES

COC(=O)/C=C/C1=C2C3=C(N=CN3)N=CN2C=C(C1=O)C(=O)OC

InChI

InChI=1S/C15H12N4O5/c1-23-10(20)4-3-8-12-11-14(17-6-16-11)18-7-19(12)5-9(13(8)21)15(22)24-2/h3-7H,1-2H3,(H,16,17)/b4-3+