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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-methoxybenzoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2-methoxybenzoate CAS Name: 2-methoxybenzoic 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-methoxybenzoate Traditional Name: 2-methoxybenzoic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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