1,3-diphenyl-8-(phenylmethyl)-7-propyl-purine-2,6-dione

Systemtic Name: 1,3-diphenyl-8-(phenylmethyl)-7-propyl-purine-2,6-dione Openeye Name: 8-benzyl-1,3-diphenyl-7-propyl-purine-2,6-dione CAS Name: 1,3-diphenyl-8-(phenylmethyl)-7-propylpurine-2,6-dione IUPAC Name: 8-benzyl-1,3-diphenyl-7-propylpurine-2,6-dione Traditional Name: 8-benzyl-1,3-diphenyl-7-propyl-xanthine Formula: C27H24N4O2 MolecularWeight: 436.50506

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O2/c1-2-18-29-23(19-20-12-6-3-7-13-20)28-25-24(29)26(32)31(22-16-10-5-11-17-22)27(33)30(25)21-14-8-4-9-15-21/h3-17H,2,18-19H2,1H3