3-methyl-8-(4-methylpiperidin-1-yl)-7-[(2S)-3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-methylpiperidin-1-yl)-7-[(2S)-3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]-3-methyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-methyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]-3-methyl-8-(4-methylpiperidino)xanthine Formula: C25H35N5O4 MolecularWeight: 469.5765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N5O4/c1-15(2)19-7-6-17(4)12-20(19)34-14-18(31)13-30-21-22(28(5)25(33)27-23(21)32)26-24(30)29-10-8-16(3)9-11-29/h6-7,12,15-16,18,31H,8-11,13-14H2,1-5H3,(H,27,32,33)/t18-/m0/s1