ethyl 2-[4-azanyl-5-(2,4-dichlorophenyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-azanyl-5-(2,4-dichlorophenyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-amino-5-(2,4-dichlorophenyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-amino-5-(2,4-dichlorophenyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-amino-5-(2,4-dichlorophenyl)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C14H13Cl2N3O2S MolecularWeight: 358.24292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=C(C(=N1)N)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)CSC1=NC=C(C(=N1)N)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H13Cl2N3O2S/c1-2-21-12(20)7-22-14-18-6-10(13(17)19-14)9-4-3-8(15)5-11(9)16/h3-6H,2,7H2,1H3,(H2,17,18,19)