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

Systemtic Name: methyl 4-[[1,3-dimethyl-7-octyl-2,6-bis(oxidanylidene)-4,5-dihydropurin-8-yl]oxy]benzoate Openeye Name: methyl 4-[(1,3-dimethyl-7-octyl-2,6-dioxo-4,5-dihydropurin-8-yl)oxy]benzoate CAS Name: 4-[(1,3-dimethyl-7-octyl-2,6-dioxo-4,5-dihydropurin-8-yl)oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(1,3-dimethyl-7-octyl-2,6-dioxo-4,5-dihydropurin-8-yl)oxy]benzoate Traditional Name: 4-[(2,6-diketo-1,3-dimethyl-7-octyl-4,5-dihydropurin-8-yl)oxy]benzoic acid methyl ester Formula: C23H32N4O5 MolecularWeight: 444.52398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2C(N=C1OC3=CC=C(C=C3)C(=O)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCN1C2C(N=C1OC3=CC=C(C=C3)C(=O)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C23H32N4O5/c1-5-6-7-8-9-10-15-27-18-19(25(2)23(30)26(3)20(18)28)24-22(27)32-17-13-11-16(12-14-17)21(29)31-4/h11-14,18-19H,5-10,15H2,1-4H3