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

Systemtic Name: 1-methyl-3-(2-methylpropyl)-7-[phenyl(phenylmethoxy)methyl]purine-2,6-dione Openeye Name: 7-[benzyloxy(phenyl)methyl]-3-isobutyl-1-methyl-purine-2,6-dione CAS Name: 1-methyl-3-(2-methylpropyl)-7-[phenyl(phenylmethoxy)methyl]purine-2,6-dione IUPAC Name: 1-methyl-3-(2-methylpropyl)-7-[phenyl(phenylmethoxy)methyl]purine-2,6-dione Traditional Name: 7-[benzoxy(phenyl)methyl]-3-isobutyl-1-methyl-xanthine Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3/c1-17(2)14-27-21-20(22(29)26(3)24(27)30)28(16-25-21)23(19-12-8-5-9-13-19)31-15-18-10-6-4-7-11-18/h4-13,16-17,23H,14-15H2,1-3H3