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

Systemtic Name: methyl 3-[1,3-dimethyl-7-octyl-2,6-bis(oxidanylidene)purin-8-yl]oxybenzoate Openeye Name: methyl 3-(1,3-dimethyl-7-octyl-2,6-dioxo-purin-8-yl)oxybenzoate CAS Name: 3-[(1,3-dimethyl-7-octyl-2,6-dioxo-8-purinyl)oxy]benzoic acid methyl ester IUPAC Name: methyl 3-(1,3-dimethyl-7-octyl-2,6-dioxopurin-8-yl)oxybenzoate Traditional Name: 3-(2,6-diketo-1,3-dimethyl-7-octyl-purin-8-yl)oxybenzoic acid methyl ester Formula: C23H30N4O5 MolecularWeight: 442.5081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1OC3=CC=CC(=C3)C(=O)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1OC3=CC=CC(=C3)C(=O)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C23H30N4O5/c1-5-6-7-8-9-10-14-27-18-19(25(2)23(30)26(3)20(18)28)24-22(27)32-17-13-11-12-16(15-17)21(29)31-4/h11-13,15H,5-10,14H2,1-4H3