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

Systemtic Name: 1,3-dimethyl-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]-1,3-dimethyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-1,3-dimethyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperidino)xanthine Formula: C26H37N5O4 MolecularWeight: 483.60308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N5O4/c1-16(2)20-8-7-18(4)13-21(20)35-15-19(32)14-31-22-23(28(5)26(34)29(6)24(22)33)27-25(31)30-11-9-17(3)10-12-30/h7-8,13,16-17,19,32H,9-12,14-15H2,1-6H3/t19-/m0/s1