4-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-N-(3-fluoranyl-4-methoxy-phenyl)-6-phenyl-pyrimidin-2-amine

Systemtic Name: 4-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-N-(3-fluoranyl-4-methoxy-phenyl)-6-phenyl-pyrimidin-2-amine Openeye Name: 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-fluoro-4-methoxy-phenyl)-6-phenyl-pyrimidin-2-amine CAS Name: 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-fluoro-4-methoxyphenyl)-6-phenyl-2-pyrimidinamine IUPAC Name: 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-fluoro-4-methoxyphenyl)-6-phenylpyrimidin-2-amine Traditional Name: [4-(1,1-diketo-1,4-thiazinan-4-yl)-6-phenyl-pyrimidin-2-yl]-(3-fluoro-4-methoxy-phenyl)amine Formula: C21H21FN4O3S MolecularWeight: 428.479843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=CC(=N2)N3CCS(=O)(=O)CC3)C4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=CC(=N2)N3CCS(=O)(=O)CC3)C4=CC=CC=C4)F

InChI

InChI=1S/C21H21FN4O3S/c1-29-19-8-7-16(13-17(19)22)23-21-24-18(15-5-3-2-4-6-15)14-20(25-21)26-9-11-30(27,28)12-10-26/h2-8,13-14H,9-12H2,1H3,(H,23,24,25)