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

Systemtic Name: 1-[(5-ethanoyl-2-methoxy-phenyl)methyl]-3,7-bis(2-methylpropyl)purine-2,6-dione Openeye Name: 1-[(5-acetyl-2-methoxy-phenyl)methyl]-3,7-diisobutyl-purine-2,6-dione CAS Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-3,7-bis(2-methylpropyl)purine-2,6-dione IUPAC Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-3,7-bis(2-methylpropyl)purine-2,6-dione Traditional Name: 1-(5-acetyl-2-methoxy-benzyl)-3,7-diisobutyl-xanthine Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C23H30N4O4/c1-14(2)10-25-13-24-21-20(25)22(29)27(23(30)26(21)11-15(3)4)12-18-9-17(16(5)28)7-8-19(18)31-6/h7-9,13-15H,10-12H2,1-6H3