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

Systemtic Name: 2-[4-chloranyl-6-[(3R)-4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-chloro-6-[(3R)-4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-chloro-6-[(3R)-4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-chloro-6-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-chloro-6-[(3R)-4-(cyclopropanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetate Formula: C15H18ClN4O3S- MolecularWeight: 369.84642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CC2)C3=CC(=NC(=N3)SCC(=O)[O-])Cl

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)C2CC2)C3=CC(=NC(=N3)SCC(=O)[O-])Cl

InChI

InChI=1S/C15H19ClN4O3S/c1-9-7-19(4-5-20(9)14(23)10-2-3-10)12-6-11(16)17-15(18-12)24-8-13(21)22/h6,9-10H,2-5,7-8H2,1H3,(H,21,22)/p-1/t9-/m1/s1