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

Systemtic Name: methyl 3-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]oxybenzoate Openeye Name: methyl 3-(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)oxybenzoate CAS Name: 3-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)oxy]benzoic acid methyl ester IUPAC Name: methyl 3-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)oxybenzoate Traditional Name: 3-(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)oxybenzoic acid methyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1OC3=CC=CC(=C3)C(=O)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1OC3=CC=CC(=C3)C(=O)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H22N4O5/c1-5-6-10-23-14-15(21(2)19(26)22(3)16(14)24)20-18(23)28-13-9-7-8-12(11-13)17(25)27-4/h7-9,11H,5-6,10H2,1-4H3