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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2,6-dimethoxybenzoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C20H24N4O6 MolecularWeight: 416.42776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C=CC=C3OC)OC)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C=CC=C3OC)OC)C

InChI

InChI=1S/C20H24N4O6/c1-5-6-10-24-17-16(18(25)22-20(24)27)23(2)14(21-17)11-30-19(26)15-12(28-3)8-7-9-13(15)29-4/h7-9H,5-6,10-11H2,1-4H3,(H,22,25,27)