ethyl 2-[4-azanyl-5-[(5-chloranylthiophen-2-yl)methyl]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-azanyl-5-[(5-chloranylthiophen-2-yl)methyl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-amino-5-[(5-chloro-2-thienyl)methyl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-amino-5-[(5-chloro-2-thiophenyl)methyl]-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-amino-5-[(5-chlorothiophen-2-yl)methyl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-amino-5-[(5-chloro-2-thienyl)methyl]pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C13H14ClN3O2S2 MolecularWeight: 343.85216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=C(C(=N1)N)CC2=CC=C(S2)Cl

Isomeric SMILES

CCOC(=O)CSC1=NC=C(C(=N1)N)CC2=CC=C(S2)Cl

InChI

InChI=1S/C13H14ClN3O2S2/c1-2-19-11(18)7-20-13-16-6-8(12(15)17-13)5-9-3-4-10(14)21-9/h3-4,6H,2,5,7H2,1H3,(H2,15,16,17)