[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 5-methyl-2-oxidanyl-benzoate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 5-methyl-2-oxidanyl-benzoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2-hydroxy-5-methyl-benzoate CAS Name: 2-hydroxy-5-methylbenzoic 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-hydroxy-5-methylbenzoate Traditional Name: 2-hydroxy-5-methyl-benzoic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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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(=C3)C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5/c1-4-5-8-23-16-15(17(25)21-19(23)27)22(3)14(20-16)10-28-18(26)12-9-11(2)6-7-13(12)24/h6-7,9,24H,4-5,8,10H2,1-3H3,(H,21,25,27)