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

Systemtic Name: 7-[(2R)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-propylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-propylsulfanyl-purine-2,6-dione CAS Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(propylthio)purine-2,6-dione IUPAC Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-propylsulfanylpurine-2,6-dione Traditional Name: 7-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-(propylthio)xanthine Formula: C18H21ClN4O4S MolecularWeight: 424.90174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCSC1=NC2=C(N1C[C@H](COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H21ClN4O4S/c1-3-8-28-18-20-15-14(16(25)21-17(26)22(15)2)23(18)9-12(24)10-27-13-6-4-11(19)5-7-13/h4-7,12,24H,3,8-10H2,1-2H3,(H,21,25,26)/t12-/m1/s1