7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione

Systemtic Name: 7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperidino)xanthine Formula: C23H31N5O5 MolecularWeight: 457.52274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CC(COC4=CC=C(C=C4)OC)O)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2C[C@H](COC4=CC=C(C=C4)OC)O)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H31N5O5/c1-15-9-11-27(12-10-15)22-24-20-19(21(30)26(3)23(31)25(20)2)28(22)13-16(29)14-33-18-7-5-17(32-4)6-8-18/h5-8,15-16,29H,9-14H2,1-4H3/t16-/m1/s1