1-ethyl-3-(3-methoxypropyl)-7-methyl-8-(4-phenylphenyl)purine-2,6-dione

Systemtic Name: 1-ethyl-3-(3-methoxypropyl)-7-methyl-8-(4-phenylphenyl)purine-2,6-dione Openeye Name: 1-ethyl-3-(3-methoxypropyl)-7-methyl-8-(4-phenylphenyl)purine-2,6-dione CAS Name: 1-ethyl-3-(3-methoxypropyl)-7-methyl-8-(4-phenylphenyl)purine-2,6-dione IUPAC Name: 1-ethyl-3-(3-methoxypropyl)-7-methyl-8-(4-phenylphenyl)purine-2,6-dione Traditional Name: 1-ethyl-3-(3-methoxypropyl)-7-methyl-8-(4-phenylphenyl)xanthine Formula: C24H26N4O3 MolecularWeight: 418.48824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)C3=CC=C(C=C3)C4=CC=CC=C4)N(C1=O)CCCOC

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)C3=CC=C(C=C3)C4=CC=CC=C4)N(C1=O)CCCOC

InChI

InChI=1S/C24H26N4O3/c1-4-27-23(29)20-22(28(24(27)30)15-8-16-31-3)25-21(26(20)2)19-13-11-18(12-14-19)17-9-6-5-7-10-17/h5-7,9-14H,4,8,15-16H2,1-3H3