7-butyl-1-phenacyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-butyl-1-phenacyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-1-phenacyl-purine-2,6-dione CAS Name: 7-butyl-1-phenacyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-1-phenacylpurine-2,6-dione Traditional Name: 3-benzyl-7-butyl-1-phenacyl-xanthine Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H24N4O3/c1-2-3-14-26-17-25-22-21(26)23(30)28(16-20(29)19-12-8-5-9-13-19)24(31)27(22)15-18-10-6-4-7-11-18/h4-13,17H,2-3,14-16H2,1H3