8-(4-phenylphenyl)-1,3,7-tripropyl-purine-2,6-dione

Systemtic Name: 8-(4-phenylphenyl)-1,3,7-tripropyl-purine-2,6-dione Openeye Name: 8-(4-phenylphenyl)-1,3,7-tripropyl-purine-2,6-dione CAS Name: 8-(4-phenylphenyl)-1,3,7-tripropylpurine-2,6-dione IUPAC Name: 8-(4-phenylphenyl)-1,3,7-tripropylpurine-2,6-dione Traditional Name: 8-(4-phenylphenyl)-1,3,7-tripropyl-xanthine Formula: C26H30N4O2 MolecularWeight: 430.542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O2/c1-4-16-28-22-24(29(17-5-2)26(32)30(18-6-3)25(22)31)27-23(28)21-14-12-20(13-15-21)19-10-8-7-9-11-19/h7-15H,4-6,16-18H2,1-3H3