6-(3-fluoranylpyridin-4-yl)-3-methyl-2-[(3R)-3-[(phenylmethyl)amino]pyrrolidin-1-yl]pyrimidin-4-one

Systemtic Name: 6-(3-fluoranylpyridin-4-yl)-3-methyl-2-[(3R)-3-[(phenylmethyl)amino]pyrrolidin-1-yl]pyrimidin-4-one Openeye Name: 2-[(3R)-3-(benzylamino)pyrrolidin-1-yl]-6-(3-fluoro-4-pyridyl)-3-methyl-pyrimidin-4-one CAS Name: 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(3R)-3-[(phenylmethyl)amino]-1-pyrrolidinyl]-4-pyrimidinone IUPAC Name: 2-[(3R)-3-(benzylamino)pyrrolidin-1-yl]-6-(3-fluoropyridin-4-yl)-3-methylpyrimidin-4-one Traditional Name: 2-[(3R)-3-(benzylamino)pyrrolidino]-6-(3-fluoro-4-pyridyl)-3-methyl-pyrimidin-4-one Formula: C21H22FN5O MolecularWeight: 379.430683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1N2CCC(C2)NCC3=CC=CC=C3)C4=C(C=NC=C4)F

Isomeric SMILES

CN1C(=O)C=C(N=C1N2CC[C@H](C2)NCC3=CC=CC=C3)C4=C(C=NC=C4)F

InChI

InChI=1S/C21H22FN5O/c1-26-20(28)11-19(17-7-9-23-13-18(17)22)25-21(26)27-10-8-16(14-27)24-12-15-5-3-2-4-6-15/h2-7,9,11,13,16,24H,8,10,12,14H2,1H3/t16-/m1/s1