N-(3-fluoranyl-4-methoxy-phenyl)-4-phenyl-6-thiomorpholin-4-yl-pyrimidin-2-amine

Systemtic Name: N-(3-fluoranyl-4-methoxy-phenyl)-4-phenyl-6-thiomorpholin-4-yl-pyrimidin-2-amine Openeye Name: N-(3-fluoro-4-methoxy-phenyl)-4-phenyl-6-thiomorpholino-pyrimidin-2-amine CAS Name: N-(3-fluoro-4-methoxyphenyl)-4-phenyl-6-thiomorpholin-4-yl-2-pyrimidinamine IUPAC Name: N-(3-fluoro-4-methoxyphenyl)-4-phenyl-6-thiomorpholin-4-ylpyrimidin-2-amine Traditional Name: (3-fluoro-4-methoxy-phenyl)-(4-phenyl-6-thiomorpholino-pyrimidin-2-yl)amine Formula: C21H21FN4OS MolecularWeight: 396.481043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=CC(=N2)N3CCSCC3)C4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=CC(=N2)N3CCSCC3)C4=CC=CC=C4)F

InChI

InChI=1S/C21H21FN4OS/c1-27-19-8-7-16(13-17(19)22)23-21-24-18(15-5-3-2-4-6-15)14-20(25-21)26-9-11-28-12-10-26/h2-8,13-14H,9-12H2,1H3,(H,23,24,25)