ethyl 4-[(2S)-3-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[(2S)-3-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[(2S)-3-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2S)-3-[(4-amino-6-methyl-2-pyrimidinyl)thio]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2S)-3-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H](CSC2=NC(=CC(=N2)N)C)O

InChI

InChI=1S/C17H21N3O4S/c1-3-23-16(22)12-4-6-14(7-5-12)24-9-13(21)10-25-17-19-11(2)8-15(18)20-17/h4-8,13,21H,3,9-10H2,1-2H3,(H2,18,19,20)/t13-/m0/s1