1-methyl-3-(2-methylpropyl)-8-(2-phenylmethoxyphenyl)-7H-purine-2,6-dione

Systemtic Name: 1-methyl-3-(2-methylpropyl)-8-(2-phenylmethoxyphenyl)-7H-purine-2,6-dione Openeye Name: 8-(2-benzyloxyphenyl)-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 1-methyl-3-(2-methylpropyl)-8-(2-phenylmethoxyphenyl)-7H-purine-2,6-dione IUPAC Name: 1-methyl-3-(2-methylpropyl)-8-(2-phenylmethoxyphenyl)-7H-purine-2,6-dione Traditional Name: 8-(2-benzoxyphenyl)-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3/c1-15(2)13-27-21-19(22(28)26(3)23(27)29)24-20(25-21)17-11-7-8-12-18(17)30-14-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,24,25)