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

Systemtic Name: 4-[3-(cyclopropylmethylsulfanyl)-5-methyl-1,2-oxazol-4-yl]-N-phenyl-pyrimidin-2-amine Openeye Name: 4-[3-(cyclopropylmethylsulfanyl)-5-methyl-isoxazol-4-yl]-N-phenyl-pyrimidin-2-amine CAS Name: 4-[3-(cyclopropylmethylthio)-5-methyl-4-isoxazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-[3-(cyclopropylmethylsulfanyl)-5-methyl-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine Traditional Name: [4-[3-(cyclopropylmethylthio)-5-methyl-isoxazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)SCC2CC2)C3=NC(=NC=C3)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)SCC2CC2)C3=NC(=NC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C18H18N4OS/c1-12-16(17(22-23-12)24-11-13-7-8-13)15-9-10-19-18(21-15)20-14-5-3-2-4-6-14/h2-6,9-10,13H,7-8,11H2,1H3,(H,19,20,21)