2-methylsulfanyl-5-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyrimidine

Systemtic Name: 2-methylsulfanyl-5-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyrimidine Openeye Name: 2-methylsulfanyl-5-[[(3R)-3-[1-(3-pyridylmethyl)-4-piperidyl]pyrrolidin-1-yl]methyl]pyrimidine CAS Name: 2-(methylthio)-5-[[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidinyl]-1-pyrrolidinyl]methyl]pyrimidine IUPAC Name: 2-methylsulfanyl-5-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyrimidine Traditional Name: 2-(methylthio)-5-[[(3R)-3-[1-(3-pyridylmethyl)-4-piperidyl]pyrrolidino]methyl]pyrimidine Formula: C21H29N5S MolecularWeight: 383.55346

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)CN2CCC(C2)C3CCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

CSC1=NC=C(C=N1)CN2CC[C@@H](C2)C3CCN(CC3)CC4=CN=CC=C4

InChI

InChI=1S/C21H29N5S/c1-27-21-23-12-18(13-24-21)15-26-10-6-20(16-26)19-4-8-25(9-5-19)14-17-3-2-7-22-11-17/h2-3,7,11-13,19-20H,4-6,8-10,14-16H2,1H3/t20-/m0/s1