methyl 3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-4,5-dihydropurin-8-yl]oxy]benzoate

Systemtic Name: methyl 3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-4,5-dihydropurin-8-yl]oxy]benzoate Openeye Name: methyl 3-[(7-allyl-1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)oxy]benzoate CAS Name: 3-[(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-4,5-dihydropurin-8-yl)oxy]benzoic acid methyl ester IUPAC Name: methyl 3-[(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-4,5-dihydropurin-8-yl)oxy]benzoate Traditional Name: 3-[(7-allyl-2,6-diketo-1,3-dimethyl-4,5-dihydropurin-8-yl)oxy]benzoic acid methyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC(=C3)C(=O)OC)CC=C

Isomeric SMILES

CN1C2C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC(=C3)C(=O)OC)CC=C

InChI

InChI=1S/C18H20N4O5/c1-5-9-22-13-14(20(2)18(25)21(3)15(13)23)19-17(22)27-12-8-6-7-11(10-12)16(24)26-4/h5-8,10,13-14H,1,9H2,2-4H3