4-[3-(1,3-dioxan-2-ylmethylsulfanyl)-5-methyl-1,2-oxazol-4-yl]-N-phenyl-pyrimidin-2-amine

Systemtic Name: 4-[3-(1,3-dioxan-2-ylmethylsulfanyl)-5-methyl-1,2-oxazol-4-yl]-N-phenyl-pyrimidin-2-amine Openeye Name: 4-[3-(1,3-dioxan-2-ylmethylsulfanyl)-5-methyl-isoxazol-4-yl]-N-phenyl-pyrimidin-2-amine CAS Name: 4-[3-(1,3-dioxan-2-ylmethylthio)-5-methyl-4-isoxazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-[3-(1,3-dioxan-2-ylmethylsulfanyl)-5-methyl-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine Traditional Name: [4-[3-(1,3-dioxan-2-ylmethylthio)-5-methyl-isoxazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)SCC2OCCCO2)C3=NC(=NC=C3)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)SCC2OCCCO2)C3=NC(=NC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C19H20N4O3S/c1-13-17(18(23-26-13)27-12-16-24-10-5-11-25-16)15-8-9-20-19(22-15)21-14-6-3-2-4-7-14/h2-4,6-9,16H,5,10-12H2,1H3,(H,20,21,22)