ethyl 4-[3-[(6-azanyl-7H-purin-8-yl)sulfanyl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[3-[(6-azanyl-7H-purin-8-yl)sulfanyl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[3-[(6-amino-7H-purin-8-yl)sulfanyl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[(6-amino-7H-purin-8-yl)thio]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(6-amino-7H-purin-8-yl)sulfanyl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[(6-amino-7H-purin-8-yl)thio]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CSC2=NC3=C(N2)C(=NC=N3)N)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(CSC2=NC3=C(N2)C(=NC=N3)N)O

InChI

InChI=1S/C17H19N5O4S/c1-2-25-16(24)10-3-5-12(6-4-10)26-7-11(23)8-27-17-21-13-14(18)19-9-20-15(13)22-17/h3-6,9,11,23H,2,7-8H2,1H3,(H3,18,19,20,21,22)