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

Systemtic Name: 3-methyl-8-(4-methylpiperidin-1-yl)-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-(4-methylpiperidino)xanthine Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O4/c1-14-8-10-25(11-9-14)20-22-18-17(19(28)23-21(29)24(18)2)26(20)12-15(27)13-30-16-6-4-3-5-7-16/h3-7,14-15,27H,8-13H2,1-2H3,(H,23,28,29)/t15-/m1/s1