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

Systemtic Name: 3-methyl-7-[(2S)-3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]-3-methyl-8-piperidino-xanthine Formula: C24H33N5O4 MolecularWeight: 455.54992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(CN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC[C@H](CN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C24H33N5O4/c1-15(2)18-9-8-16(3)12-19(18)33-14-17(30)13-29-20-21(27(4)24(32)26-22(20)31)25-23(29)28-10-6-5-7-11-28/h8-9,12,15,17,30H,5-7,10-11,13-14H2,1-4H3,(H,26,31,32)/t17-/m0/s1