N4-(3-iodanyl-4-methyl-phenyl)-6-methylsulfanyl-pyrimidine-2,4-diamine

Systemtic Name: N4-(3-iodanyl-4-methyl-phenyl)-6-methylsulfanyl-pyrimidine-2,4-diamine Openeye Name: N4-(3-iodo-4-methyl-phenyl)-6-methylsulfanyl-pyrimidine-2,4-diamine CAS Name: N4-(3-iodo-4-methylphenyl)-6-(methylthio)pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-iodo-4-methylphenyl)-6-methylsulfanylpyrimidine-2,4-diamine Traditional Name: [2-amino-6-(methylthio)pyrimidin-4-yl]-(3-iodo-4-methyl-phenyl)amine Formula: C12H13IN4S MolecularWeight: 372.22789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=CC(=NC(=N2)N)SC)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=CC(=NC(=N2)N)SC)I

InChI

InChI=1S/C12H13IN4S/c1-7-3-4-8(5-9(7)13)15-10-6-11(18-2)17-12(14)16-10/h3-6H,1-2H3,(H3,14,15,16,17)