methyl 6-[(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanylmethyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanylmethyl]pyridine-3-carboxylate Openeye Name: methyl 6-[(4-amino-6-chloro-pyrimidin-2-yl)sulfanylmethyl]pyridine-3-carboxylate CAS Name: 6-[[(4-amino-6-chloro-2-pyrimidinyl)thio]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(4-amino-6-chloropyrimidin-2-yl)sulfanylmethyl]pyridine-3-carboxylate Traditional Name: 6-[[(4-amino-6-chloro-pyrimidin-2-yl)thio]methyl]nicotinic acid methyl ester Formula: C12H11ClN4O2S MolecularWeight: 310.75934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)CSC2=NC(=CC(=N2)Cl)N

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)CSC2=NC(=CC(=N2)Cl)N

InChI

InChI=1S/C12H11ClN4O2S/c1-19-11(18)7-2-3-8(15-5-7)6-20-12-16-9(13)4-10(14)17-12/h2-5H,6H2,1H3,(H2,14,16,17)