2-[6-azanyl-5-chloranyl-2-(3-methoxycarbonyl-2H-pyridin-1-yl)pyrimidin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[6-azanyl-5-chloranyl-2-(3-methoxycarbonyl-2H-pyridin-1-yl)pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[6-amino-5-chloro-2-(3-methoxycarbonyl-2H-pyridin-1-yl)pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[6-amino-5-chloro-2-(3-methoxycarbonyl-2H-pyridin-1-yl)-4-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[6-amino-5-chloro-2-(3-methoxycarbonyl-2H-pyridin-1-yl)pyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[6-amino-2-(3-carbomethoxy-2H-pyridin-1-yl)-5-chloro-pyrimidin-4-yl]thio]acetic acid Formula: C13H13ClN4O4S MolecularWeight: 356.78472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CN(C1)C2=NC(=C(C(=N2)SCC(=O)O)Cl)N

Isomeric SMILES

COC(=O)C1=CC=CN(C1)C2=NC(=C(C(=N2)SCC(=O)O)Cl)N

InChI

InChI=1S/C13H13ClN4O4S/c1-22-12(21)7-3-2-4-18(5-7)13-16-10(15)9(14)11(17-13)23-6-8(19)20/h2-4H,5-6H2,1H3,(H,19,20)(H2,15,16,17)