(2S)-6-[[2-[[4-(aminomethyl)phenyl]amino]-5-fluoranyl-pyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one

Systemtic Name: (2S)-6-[[2-[[4-(aminomethyl)phenyl]amino]-5-fluoranyl-pyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Openeye Name: (2S)-6-[[2-[4-(aminomethyl)anilino]-5-fluoro-pyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one CAS Name: (2S)-6-[[2-[4-(aminomethyl)anilino]-5-fluoro-4-pyrimidinyl]amino]-2-methyl-4H-1,4-benzoxazin-3-one IUPAC Name: (2S)-6-[[2-[4-(aminomethyl)anilino]-5-fluoropyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Traditional Name: (2S)-6-[[2-[4-(aminomethyl)anilino]-5-fluoro-pyrimidin-4-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Formula: C20H19FN6O2 MolecularWeight: 394.402263

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC=C(C=C4)CN

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC=C(C=C4)CN

InChI

InChI=1S/C20H19FN6O2/c1-11-19(28)26-16-8-14(6-7-17(16)29-11)24-18-15(21)10-23-20(27-18)25-13-4-2-12(9-22)3-5-13/h2-8,10-11H,9,22H2,1H3,(H,26,28)(H2,23,24,25,27)/t11-/m0/s1