2-[[2-azanyl-3-(3-isocyanophenyl)propyl]amino]-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[[2-azanyl-3-(3-isocyanophenyl)propyl]amino]-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[[2-amino-3-(3-isocyanophenyl)propyl]amino]-5-(4-fluorophenyl)-6-(4-pyridyl)-1H-pyrimidin-4-one CAS Name: 2-[[2-amino-3-(3-isocyanophenyl)propyl]amino]-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-pyrimidin-4-one IUPAC Name: 2-[[2-amino-3-(3-isocyanophenyl)propyl]amino]-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-pyrimidin-4-one Traditional Name: 2-[[2-amino-3-(3-isocyanophenyl)propyl]amino]-5-(4-fluorophenyl)-6-(4-pyridyl)-1H-pyrimidin-4-one Formula: C25H21FN6O MolecularWeight: 440.472243

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=CC(=C1)CC(CNC2=NC(=O)C(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)N

Isomeric SMILES

[C-]#[N+]C1=CC=CC(=C1)CC(CNC2=NC(=O)C(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)N

InChI

InChI=1S/C25H21FN6O/c1-28-21-4-2-3-16(14-21)13-20(27)15-30-25-31-23(18-9-11-29-12-10-18)22(24(33)32-25)17-5-7-19(26)8-6-17/h2-12,14,20H,13,15,27H2,(H2,30,31,32,33)