2-[4-azanyl-5-[(5-chloranylthiophen-2-yl)methyl]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-azanyl-5-[(5-chloranylthiophen-2-yl)methyl]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-amino-5-[(5-chloro-2-thienyl)methyl]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-amino-5-[(5-chloro-2-thiophenyl)methyl]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-amino-5-[(5-chlorothiophen-2-yl)methyl]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-amino-5-[(5-chloro-2-thienyl)methyl]pyrimidin-2-yl]thio]acetic acid Formula: C11H10ClN3O2S2 MolecularWeight: 315.799

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Cl)CC2=CN=C(N=C2N)SCC(=O)O

Isomeric SMILES

C1=C(SC(=C1)Cl)CC2=CN=C(N=C2N)SCC(=O)O

InChI

InChI=1S/C11H10ClN3O2S2/c12-8-2-1-7(19-8)3-6-4-14-11(15-10(6)13)18-5-9(16)17/h1-2,4H,3,5H2,(H,16,17)(H2,13,14,15)