ethyl 4-[2-oxidanyl-3-(7H-purin-8-ylsulfanyl)propoxy]benzoate

Systemtic Name: ethyl 4-[2-oxidanyl-3-(7H-purin-8-ylsulfanyl)propoxy]benzoate Openeye Name: ethyl 4-[2-hydroxy-3-(7H-purin-8-ylsulfanyl)propoxy]benzoate CAS Name: 4-[2-hydroxy-3-(7H-purin-8-ylthio)propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-hydroxy-3-(7H-purin-8-ylsulfanyl)propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-(7H-purin-8-ylthio)propoxy]benzoic acid ethyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CSC2=NC3=NC=NC=C3N2)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(CSC2=NC3=NC=NC=C3N2)O

InChI

InChI=1S/C17H18N4O4S/c1-2-24-16(23)11-3-5-13(6-4-11)25-8-12(22)9-26-17-20-14-7-18-10-19-15(14)21-17/h3-7,10,12,22H,2,8-9H2,1H3,(H,18,19,20,21)