5-[[(2-methyl-5-nitro-phenyl)amino]methyl]-2-methylsulfanyl-pyrimidin-4-amine

Systemtic Name: 5-[[(2-methyl-5-nitro-phenyl)amino]methyl]-2-methylsulfanyl-pyrimidin-4-amine Openeye Name: 5-[(2-methyl-5-nitro-anilino)methyl]-2-methylsulfanyl-pyrimidin-4-amine CAS Name: 5-[(2-methyl-5-nitroanilino)methyl]-2-(methylthio)-4-pyrimidinamine IUPAC Name: 5-[(2-methyl-5-nitroanilino)methyl]-2-methylsulfanylpyrimidin-4-amine Traditional Name: [4-amino-2-(methylthio)pyrimidin-5-yl]methyl-(2-methyl-5-nitro-phenyl)amine Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CN=C(N=C2N)SC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CN=C(N=C2N)SC

InChI

InChI=1S/C13H15N5O2S/c1-8-3-4-10(18(19)20)5-11(8)15-6-9-7-16-13(21-2)17-12(9)14/h3-5,7,15H,6H2,1-2H3,(H2,14,16,17)