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

Systemtic Name: 2-[[2-azanyl-3-(1-benzothiophen-3-yl)propyl]amino]-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[[2-amino-3-(benzothiophen-3-yl)propyl]amino]-5-(4-fluorophenyl)-6-(4-pyridyl)-1H-pyrimidin-4-one CAS Name: 2-[[2-amino-3-(1-benzothiophen-3-yl)propyl]amino]-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-pyrimidin-4-one IUPAC Name: 2-[[2-amino-3-(1-benzothiophen-3-yl)propyl]amino]-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-pyrimidin-4-one Traditional Name: 2-[[2-amino-3-(benzothiophen-3-yl)propyl]amino]-5-(4-fluorophenyl)-6-(4-pyridyl)-1H-pyrimidin-4-one Formula: C26H22FN5OS MolecularWeight: 471.549183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CC(CNC3=NC(=O)C(=C(N3)C4=CC=NC=C4)C5=CC=C(C=C5)F)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CC(CNC3=NC(=O)C(=C(N3)C4=CC=NC=C4)C5=CC=C(C=C5)F)N

InChI

InChI=1S/C26H22FN5OS/c27-19-7-5-16(6-8-19)23-24(17-9-11-29-12-10-17)31-26(32-25(23)33)30-14-20(28)13-18-15-34-22-4-2-1-3-21(18)22/h1-12,15,20H,13-14,28H2,(H2,30,31,32,33)