methyl 4-[1,3-dimethyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]oxybenzoate

Systemtic Name: methyl 4-[1,3-dimethyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]oxybenzoate Openeye Name: methyl 4-(7-isopentyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)oxybenzoate CAS Name: 4-[[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]oxybenzoate Traditional Name: 4-(7-isoamyl-2,6-diketo-1,3-dimethyl-purin-8-yl)oxybenzoic acid methyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1OC3=CC=C(C=C3)C(=O)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1OC3=CC=C(C=C3)C(=O)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H24N4O5/c1-12(2)10-11-24-15-16(22(3)20(27)23(4)17(15)25)21-19(24)29-14-8-6-13(7-9-14)18(26)28-5/h6-9,12H,10-11H2,1-5H3