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

Systemtic Name: 2-[4-chloranyl-6-[4-(3-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-[4-(3-methoxybenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-[4-[(3-methoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-6-(4-m-anisoyl-3-methyl-piperazino)pyrimidin-2-yl]thio]acetic acid Formula: C19H21ClN4O4S MolecularWeight: 436.91244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC=C2)OC)C3=CC(=NC(=N3)SCC(=O)O)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC=C2)OC)C3=CC(=NC(=N3)SCC(=O)O)Cl

InChI

InChI=1S/C19H21ClN4O4S/c1-12-10-23(16-9-15(20)21-19(22-16)29-11-17(25)26)6-7-24(12)18(27)13-4-3-5-14(8-13)28-2/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,25,26)