8-phenyl-1,3,7-tripropyl-purine-2,6-dione

Systemtic Name: 8-phenyl-1,3,7-tripropyl-purine-2,6-dione Openeye Name: 8-phenyl-1,3,7-tripropyl-purine-2,6-dione CAS Name: 8-phenyl-1,3,7-tripropylpurine-2,6-dione IUPAC Name: 8-phenyl-1,3,7-tripropylpurine-2,6-dione Traditional Name: 8-phenyl-1,3,7-tripropyl-xanthine Formula: C20H26N4O2 MolecularWeight: 354.44604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2/c1-4-12-22-16-18(21-17(22)15-10-8-7-9-11-15)23(13-5-2)20(26)24(14-6-3)19(16)25/h7-11H,4-6,12-14H2,1-3H3