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

Systemtic Name: 2-[4-chloranyl-6-[3-methyl-4-(propan-2-ylcarbamoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-[4-(isopropylcarbamoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-[3-methyl-4-[oxo-(propan-2-ylamino)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-[3-methyl-4-(propan-2-ylcarbamoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-6-[4-(isopropylcarbamoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetic acid Formula: C15H22ClN5O3S MolecularWeight: 387.88488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)O)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)O)Cl

InChI

InChI=1S/C15H22ClN5O3S/c1-9(2)17-15(24)21-5-4-20(7-10(21)3)12-6-11(16)18-14(19-12)25-8-13(22)23/h6,9-10H,4-5,7-8H2,1-3H3,(H,17,24)(H,22,23)