methyl 2-[5-(4-fluorophenyl)-4-[(3S)-1-pyrazin-2-ylcarbonylpiperidin-3-yl]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[5-(4-fluorophenyl)-4-[(3S)-1-pyrazin-2-ylcarbonylpiperidin-3-yl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[5-(4-fluorophenyl)-4-[(3S)-1-(pyrazine-2-carbonyl)-3-piperidyl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[5-(4-fluorophenyl)-4-[(3S)-1-[oxo(2-pyrazinyl)methyl]-3-piperidinyl]-2-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[5-(4-fluorophenyl)-4-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[5-(4-fluorophenyl)-4-[(3S)-1-pyrazinoyl-3-piperidyl]pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C23H22FN5O3S MolecularWeight: 467.515883

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=C(C(=N1)C2CCCN(C2)C(=O)C3=NC=CN=C3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)CSC1=NC=C(C(=N1)[C@H]2CCCN(C2)C(=O)C3=NC=CN=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22FN5O3S/c1-32-20(30)14-33-23-27-11-18(15-4-6-17(24)7-5-15)21(28-23)16-3-2-10-29(13-16)22(31)19-12-25-8-9-26-19/h4-9,11-12,16H,2-3,10,13-14H2,1H3/t16-/m0/s1