1,3-dimethyl-8-phenyl-7-propyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-phenyl-7-propyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-phenyl-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-phenyl-7-propylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-phenyl-7-propylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-phenyl-7-propyl-xanthine Formula: C16H18N4O2 MolecularWeight: 298.33972

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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2/c1-4-10-20-12-14(18(2)16(22)19(3)15(12)21)17-13(20)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3