7-(2-methoxyethyl)-8-(3-methylphenyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-8-(3-methylphenyl)-3-propyl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-8-(m-tolyl)-3-propyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-8-(3-methylphenyl)-3-propylpurine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-8-(3-methylphenyl)-3-propylpurine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-8-(m-tolyl)-3-propyl-xanthine Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=CC=C3)C)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=CC=C3)C)CCOC

InChI

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