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

Systemtic Name: 3-methyl-8-(4-methylpiperidin-1-yl)-7-[(2R)-2-oxidanyl-3-propan-2-yloxy-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-isopropoxy-propyl]-3-methyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]-3-methyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-isopropoxy-propyl]-3-methyl-8-(4-methylpiperidino)xanthine Formula: C18H29N5O4 MolecularWeight: 379.45396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CC(COC(C)C)O)C(=O)NC(=O)N3C

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O4/c1-11(2)27-10-13(24)9-23-14-15(21(4)18(26)20-16(14)25)19-17(23)22-7-5-12(3)6-8-22/h11-13,24H,5-10H2,1-4H3,(H,20,25,26)/t13-/m1/s1