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

Systemtic Name: 2-[4-chloranyl-6-[(3R)-3-methyl-4-(propan-2-ylcarbamoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-chloro-6-[(3R)-4-(isopropylcarbamoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-chloro-6-[(3R)-3-methyl-4-[oxo-(propan-2-ylamino)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-chloro-6-[(3R)-3-methyl-4-(propan-2-ylcarbamoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-chloro-6-[(3R)-4-(isopropylcarbamoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetate Formula: C15H21ClN5O3S- MolecularWeight: 386.87694

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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

C[C@@H]1CN(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)/p-1/t10-/m1/s1