[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2,4-bis(oxidanyl)benzoate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2,4-bis(oxidanyl)benzoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2,4-dihydroxybenzoate CAS Name: 2,4-dihydroxybenzoic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 2,4-dihydroxybenzoate Traditional Name: 2,4-dihydroxybenzoic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C18H20N4O6 MolecularWeight: 388.3746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C=C(C=C3)O)O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C=C(C=C3)O)O)C

InChI

InChI=1S/C18H20N4O6/c1-3-4-7-22-15-14(16(25)20-18(22)27)21(2)13(19-15)9-28-17(26)11-6-5-10(23)8-12(11)24/h5-6,8,23-24H,3-4,7,9H2,1-2H3,(H,20,25,27)