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

Systemtic Name: 1-(2-methoxyethyl)-3-(2-methylphenyl)-7-propyl-purine-2,6-dione Openeye Name: 1-(2-methoxyethyl)-3-(o-tolyl)-7-propyl-purine-2,6-dione CAS Name: 1-(2-methoxyethyl)-3-(2-methylphenyl)-7-propylpurine-2,6-dione IUPAC Name: 1-(2-methoxyethyl)-3-(2-methylphenyl)-7-propylpurine-2,6-dione Traditional Name: 1-(2-methoxyethyl)-3-(o-tolyl)-7-propyl-xanthine Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3C)CCOC

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3C)CCOC

InChI

InChI=1S/C18H22N4O3/c1-4-9-20-12-19-16-15(20)17(23)21(10-11-25-3)18(24)22(16)14-8-6-5-7-13(14)2/h5-8,12H,4,9-11H2,1-3H3