2-[[(3R,4S)-4-fluoranyl-1-(phenylmethyl)pyrrolidin-3-yl]amino]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 2-[[(3R,4S)-4-fluoranyl-1-(phenylmethyl)pyrrolidin-3-yl]amino]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-[[(3R,4S)-1-benzyl-4-fluoro-pyrrolidin-3-yl]amino]-3-methyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 2-[[(3R,4S)-4-fluoro-1-(phenylmethyl)-3-pyrrolidinyl]amino]-3-methyl-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-[[(3R,4S)-1-benzyl-4-fluoropyrrolidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-[[(3R,4S)-1-benzyl-4-fluoro-pyrrolidin-3-yl]amino]-3-methyl-6-(4-pyridyl)pyrimidin-4-one Formula: C21H22FN5O MolecularWeight: 379.430683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1NC2CN(CC2F)CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=O)C=C(N=C1N[C@@H]2CN(C[C@@H]2F)CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C21H22FN5O/c1-26-20(28)11-18(16-7-9-23-10-8-16)24-21(26)25-19-14-27(13-17(19)22)12-15-5-3-2-4-6-15/h2-11,17,19H,12-14H2,1H3,(H,24,25)/t17-,19+/m0/s1