1-[4-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-[(3S)-3-oxidanylpyrrolidin-1-yl]pyrimidin-2-yl]amino]-2-ethyl-pyrrolidin-1-yl]-5-chloranyl-pyrimidin-2-yl]piperidin-4-ol

Systemtic Name: 1-[4-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-[(3S)-3-oxidanylpyrrolidin-1-yl]pyrimidin-2-yl]amino]-2-ethyl-pyrrolidin-1-yl]-5-chloranyl-pyrimidin-2-yl]piperidin-4-ol Openeye Name: 1-[4-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]amino]-2-ethyl-pyrrolidin-1-yl]-5-chloro-pyrimidin-2-yl]piperidin-4-ol CAS Name: 1-[4-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-[(3S)-3-hydroxy-1-pyrrolidinyl]-2-pyrimidinyl]amino]-2-ethyl-1-pyrrolidinyl]-5-chloro-2-pyrimidinyl]-4-piperidinol IUPAC Name: 1-[4-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]amino]-2-ethylpyrrolidin-1-yl]-5-chloropyrimidin-2-yl]piperidin-4-ol Traditional Name: 1-[4-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)benzyl]-[5-[(3S)-3-hydroxypyrrolidino]pyrimidin-2-yl]amino]-2-ethyl-pyrrolidino]-5-chloro-pyrimidin-2-yl]piperidin-4-ol Formula: C32H37ClF6N8O2 MolecularWeight: 715.131999

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CN1C2=NC(=NC=C2Cl)N3CCC(CC3)O)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NC=C(C=N5)N6CCC(C6)O

Isomeric SMILES

CC[C@@H]1C[C@@H](CN1C2=NC(=NC=C2Cl)N3CCC(CC3)O)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NC=C(C=N5)N6CC[C@@H](C6)O

InChI

InChI=1S/C32H37ClF6N8O2/c1-2-22-12-23(17-46(22)28-27(33)15-42-30(43-28)44-6-3-25(48)4-7-44)47(29-40-13-24(14-41-29)45-8-5-26(49)18-45)16-19-9-20(31(34,35)36)11-21(10-19)32(37,38)39/h9-11,13-15,22-23,25-26,48-49H,2-8,12,16-18H2,1H3/t22-,23+,26+/m1/s1