ethyl 4-azanyl-2-[3-(4-chloranylphenoxy)propylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[3-(4-chloranylphenoxy)propylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[3-(4-chlorophenoxy)propylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[3-(4-chlorophenoxy)propylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[3-(4-chlorophenoxy)propylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[3-(4-chlorophenoxy)propylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18ClN3O3S MolecularWeight: 367.85042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCCCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCCCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H18ClN3O3S/c1-2-22-15(21)13-10-19-16(20-14(13)18)24-9-3-8-23-12-6-4-11(17)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H2,18,19,20)