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

Systemtic Name: 7-[(2R)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-(4-methylpiperidino)xanthine Formula: C21H26ClN5O4 MolecularWeight: 447.91524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN5O4/c1-13-7-9-26(10-8-13)20-23-18-17(19(29)24-21(30)25(18)2)27(20)11-15(28)12-31-16-5-3-14(22)4-6-16/h3-6,13,15,28H,7-12H2,1-2H3,(H,24,29,30)/t15-/m1/s1