1,3,8-triphenyl-7-propyl-purine-2,6-dione

Systemtic Name: 1,3,8-triphenyl-7-propyl-purine-2,6-dione Openeye Name: 1,3,8-triphenyl-7-propyl-purine-2,6-dione CAS Name: 1,3,8-triphenyl-7-propylpurine-2,6-dione IUPAC Name: 1,3,8-triphenyl-7-propylpurine-2,6-dione Traditional Name: 1,3,8-triphenyl-7-propyl-xanthine Formula: C26H22N4O2 MolecularWeight: 422.47848

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C3=CC=CC=C3)N(C(=O)N(C2=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCN1C2=C(N=C1C3=CC=CC=C3)N(C(=O)N(C2=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H22N4O2/c1-2-18-28-22-24(27-23(28)19-12-6-3-7-13-19)29(20-14-8-4-9-15-20)26(32)30(25(22)31)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3