ethyl 4-azanyl-2-[3-(4-cyanophenoxy)-2-oxidanyl-propyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[3-(4-cyanophenoxy)-2-oxidanyl-propyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[3-(4-cyanophenoxy)-2-hydroxy-propyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[3-(4-cyanophenoxy)-2-hydroxypropyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[3-(4-cyanophenoxy)-2-hydroxy-propyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(COC2=CC=C(C=C2)C#N)O

InChI

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