1,3-dimethyl-7-[(1R)-1-phenylethyl]-8-propoxy-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(1R)-1-phenylethyl]-8-propoxy-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(1R)-1-phenylethyl]-8-propoxy-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(1R)-1-phenylethyl]-8-propoxypurine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(1R)-1-phenylethyl]-8-propoxypurine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(1R)-1-phenylethyl]-8-propoxy-xanthine Formula: C18H22N4O3 MolecularWeight: 342.39228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC2=C(N1C(C)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCOC1=NC2=C(N1[C@H](C)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H22N4O3/c1-5-11-25-17-19-15-14(16(23)21(4)18(24)20(15)3)22(17)12(2)13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3/t12-/m1/s1