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

Systemtic Name: 8-phenyl-3-(phenylmethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-benzyl-8-phenyl-7-propyl-purine-2,6-dione CAS Name: 8-phenyl-3-(phenylmethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-phenyl-7-propylpurine-2,6-dione Traditional Name: 3-benzyl-8-phenyl-7-propyl-xanthine Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C3=CC=CC=C3)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(N=C1C3=CC=CC=C3)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2/c1-2-13-24-17-19(22-18(24)16-11-7-4-8-12-16)25(21(27)23-20(17)26)14-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3,(H,23,26,27)