8-ethyl-7-methyl-1-[[4-(phenylcarbonyl)phenyl]methyl]-3-propyl-purine-2,6-dione

Systemtic Name: 8-ethyl-7-methyl-1-[[4-(phenylcarbonyl)phenyl]methyl]-3-propyl-purine-2,6-dione Openeye Name: 1-[(4-benzoylphenyl)methyl]-8-ethyl-7-methyl-3-propyl-purine-2,6-dione CAS Name: 1-[(4-benzoylphenyl)methyl]-8-ethyl-7-methyl-3-propylpurine-2,6-dione IUPAC Name: 1-[(4-benzoylphenyl)methyl]-8-ethyl-7-methyl-3-propylpurine-2,6-dione Traditional Name: 1-(4-benzoylbenzyl)-8-ethyl-7-methyl-3-propyl-xanthine Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)N(C(=N2)CC)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)N(C(=N2)CC)C

InChI

InChI=1S/C25H26N4O3/c1-4-15-28-23-21(27(3)20(5-2)26-23)24(31)29(25(28)32)16-17-11-13-19(14-12-17)22(30)18-9-7-6-8-10-18/h6-14H,4-5,15-16H2,1-3H3