3,7-bis(2-methylpropyl)-8-(4-phenylphenyl)purine-2,6-dione

Systemtic Name: 3,7-bis(2-methylpropyl)-8-(4-phenylphenyl)purine-2,6-dione Openeye Name: 3,7-diisobutyl-8-(4-phenylphenyl)purine-2,6-dione CAS Name: 3,7-bis(2-methylpropyl)-8-(4-phenylphenyl)purine-2,6-dione IUPAC Name: 3,7-bis(2-methylpropyl)-8-(4-phenylphenyl)purine-2,6-dione Traditional Name: 3,7-diisobutyl-8-(4-phenylphenyl)xanthine Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1C3=CC=C(C=C3)C4=CC=CC=C4)N(C(=O)NC2=O)CC(C)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1C3=CC=C(C=C3)C4=CC=CC=C4)N(C(=O)NC2=O)CC(C)C

InChI

InChI=1S/C25H28N4O2/c1-16(2)14-28-21-23(29(15-17(3)4)25(31)27-24(21)30)26-22(28)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-13,16-17H,14-15H2,1-4H3,(H,27,30,31)