methyl 2-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-2-(4-methylpyridin-2-yl)ethanoate

Systemtic Name: methyl 2-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-2-(4-methylpyridin-2-yl)ethanoate Openeye Name: methyl 2-(4-amino-6-chloro-pyrimidin-2-yl)sulfanyl-2-(4-methyl-2-pyridyl)acetate CAS Name: 2-[(4-amino-6-chloro-2-pyrimidinyl)thio]-2-(4-methyl-2-pyridinyl)acetic acid methyl ester IUPAC Name: methyl 2-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-2-(4-methylpyridin-2-yl)acetate Traditional Name: 2-[(4-amino-6-chloro-pyrimidin-2-yl)thio]-2-(4-methyl-2-pyridyl)acetic acid methyl ester Formula: C13H13ClN4O2S MolecularWeight: 324.78592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C(C(=O)OC)SC2=NC(=CC(=N2)Cl)N

Isomeric SMILES

CC1=CC(=NC=C1)C(C(=O)OC)SC2=NC(=CC(=N2)Cl)N

InChI

InChI=1S/C13H13ClN4O2S/c1-7-3-4-16-8(5-7)11(12(19)20-2)21-13-17-9(14)6-10(15)18-13/h3-6,11H,1-2H3,(H2,15,17,18)