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

Systemtic Name: 1,3-dimethyl-7-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-piperidino-xanthine Formula: C22H29N5O4 MolecularWeight: 427.49676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2N4CCCCC4)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@@H](CN2C3=C(N=C2N4CCCCC4)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C22H29N5O4/c1-15-7-9-17(10-8-15)31-14-16(28)13-27-18-19(24(2)22(30)25(3)20(18)29)23-21(27)26-11-5-4-6-12-26/h7-10,16,28H,4-6,11-14H2,1-3H3/t16-/m1/s1