4-(5-methyl-3-methylsulfanyl-1,2-oxazol-4-yl)-N-(2-nitrophenyl)pyrimidin-2-amine

Systemtic Name: 4-(5-methyl-3-methylsulfanyl-1,2-oxazol-4-yl)-N-(2-nitrophenyl)pyrimidin-2-amine Openeye Name: 4-(5-methyl-3-methylsulfanyl-isoxazol-4-yl)-N-(2-nitrophenyl)pyrimidin-2-amine CAS Name: 4-[5-methyl-3-(methylthio)-4-isoxazolyl]-N-(2-nitrophenyl)-2-pyrimidinamine IUPAC Name: 4-(5-methyl-3-methylsulfanyl-1,2-oxazol-4-yl)-N-(2-nitrophenyl)pyrimidin-2-amine Traditional Name: [4-[5-methyl-3-(methylthio)isoxazol-4-yl]pyrimidin-2-yl]-(2-nitrophenyl)amine Formula: C15H13N5O3S MolecularWeight: 343.36042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)SC)C2=NC(=NC=C2)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)SC)C2=NC(=NC=C2)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O3S/c1-9-13(14(24-2)19-23-9)11-7-8-16-15(18-11)17-10-5-3-4-6-12(10)20(21)22/h3-8H,1-2H3,(H,16,17,18)