7-(2-methoxyethyl)-1-[(2-methoxy-5-methyl-phenyl)methyl]-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-1-[(2-methoxy-5-methyl-phenyl)methyl]-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 3-isobutyl-7-(2-methoxyethyl)-1-[(2-methoxy-5-methyl-phenyl)methyl]purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-1-[(2-methoxy-5-methylphenyl)methyl]-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-1-[(2-methoxy-5-methylphenyl)methyl]-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-isobutyl-7-(2-methoxyethyl)-1-(2-methoxy-5-methyl-benzyl)xanthine Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC(C)C

InChI

InChI=1S/C21H28N4O4/c1-14(2)11-24-19-18(23(13-22-19)8-9-28-4)20(26)25(21(24)27)12-16-10-15(3)6-7-17(16)29-5/h6-7,10,13-14H,8-9,11-12H2,1-5H3