2-[4-chloranyl-6-[4-(ethylcarbamoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-chloranyl-6-[4-(ethylcarbamoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-[4-(ethylcarbamoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-[4-(ethylcarbamoyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-[4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-6-[4-(ethylcarbamoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetic acid Formula: C14H20ClN5O3S MolecularWeight: 373.8583

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)O)Cl

Isomeric SMILES

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)O)Cl

InChI

InChI=1S/C14H20ClN5O3S/c1-3-16-14(23)20-5-4-19(7-9(20)2)11-6-10(15)17-13(18-11)24-8-12(21)22/h6,9H,3-5,7-8H2,1-2H3,(H,16,23)(H,21,22)