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

Systemtic Name: 7-(2-methoxyethyl)-8-(3-methylphenyl)-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 3-isobutyl-7-(2-methoxyethyl)-8-(m-tolyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-8-(3-methylphenyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-8-(3-methylphenyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-isobutyl-7-(2-methoxyethyl)-8-(m-tolyl)xanthine Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(N2CCOC)C(=O)NC(=O)N3CC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(N2CCOC)C(=O)NC(=O)N3CC(C)C

InChI

InChI=1S/C19H24N4O3/c1-12(2)11-23-17-15(18(24)21-19(23)25)22(8-9-26-4)16(20-17)14-7-5-6-13(3)10-14/h5-7,10,12H,8-9,11H2,1-4H3,(H,21,24,25)