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

Systemtic Name: methyl 3-[7-heptyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]oxybenzoate Openeye Name: methyl 3-(7-heptyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)oxybenzoate CAS Name: 3-[(7-heptyl-1,3-dimethyl-2,6-dioxo-8-purinyl)oxy]benzoic acid methyl ester IUPAC Name: methyl 3-(7-heptyl-1,3-dimethyl-2,6-dioxopurin-8-yl)oxybenzoate Traditional Name: 3-(7-heptyl-2,6-diketo-1,3-dimethyl-purin-8-yl)oxybenzoic acid methyl ester Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1OC3=CC=CC(=C3)C(=O)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1OC3=CC=CC(=C3)C(=O)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H28N4O5/c1-5-6-7-8-9-13-26-17-18(24(2)22(29)25(3)19(17)27)23-21(26)31-16-12-10-11-15(14-16)20(28)30-4/h10-12,14H,5-9,13H2,1-4H3