1-(2-methoxyethyl)-3-(4-methylphenyl)-7-(2-oxidanylidenebutyl)purine-2,6-dione

Systemtic Name: 1-(2-methoxyethyl)-3-(4-methylphenyl)-7-(2-oxidanylidenebutyl)purine-2,6-dione Openeye Name: 1-(2-methoxyethyl)-7-(2-oxobutyl)-3-(p-tolyl)purine-2,6-dione CAS Name: 1-(2-methoxyethyl)-3-(4-methylphenyl)-7-(2-oxobutyl)purine-2,6-dione IUPAC Name: 1-(2-methoxyethyl)-3-(4-methylphenyl)-7-(2-oxobutyl)purine-2,6-dione Traditional Name: 7-(2-ketobutyl)-1-(2-methoxyethyl)-3-(p-tolyl)xanthine Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=C(C=C3)C)CCOC

Isomeric SMILES

CCC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=C(C=C3)C)CCOC

InChI

InChI=1S/C19H22N4O4/c1-4-15(24)11-21-12-20-17-16(21)18(25)22(9-10-27-3)19(26)23(17)14-7-5-13(2)6-8-14/h5-8,12H,4,9-11H2,1-3H3