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

Systemtic Name: methyl 4-[[7-heptyl-1,3-dimethyl-2,6-bis(oxidanylidene)-4,5-dihydropurin-8-yl]oxy]benzoate Openeye Name: methyl 4-[(7-heptyl-1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)oxy]benzoate CAS Name: 4-[(7-heptyl-1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(7-heptyl-1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)oxy]benzoate Traditional Name: 4-[(7-heptyl-2,6-diketo-1,3-dimethyl-4,5-dihydropurin-8-yl)oxy]benzoic acid methyl ester Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2C(N=C1OC3=CC=C(C=C3)C(=O)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCN1C2C(N=C1OC3=CC=C(C=C3)C(=O)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H30N4O5/c1-5-6-7-8-9-14-26-17-18(24(2)22(29)25(3)19(17)27)23-21(26)31-16-12-10-15(11-13-16)20(28)30-4/h10-13,17-18H,5-9,14H2,1-4H3