methyl 3-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]oxybenzoate

Systemtic Name: methyl 3-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]oxybenzoate Openeye Name: methyl 3-(7-allyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)oxybenzoate CAS Name: 3-[(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)oxy]benzoic acid methyl ester IUPAC Name: methyl 3-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)oxybenzoate Traditional Name: 3-(7-allyl-2,6-diketo-1,3-dimethyl-purin-8-yl)oxybenzoic acid methyl ester Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC(=C3)C(=O)OC)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC(=C3)C(=O)OC)CC=C

InChI

InChI=1S/C18H18N4O5/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/h5-8,10H,1,9H2,2-4H3