2-[(2,4-dimethylphenyl)methylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[(2,4-dimethylphenyl)methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(2,4-dimethylbenzyl)thio]pyrimidin-4-yl]amine Formula: C13H16N4S MolecularWeight: 260.35794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NC(=CC(=N2)N)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC(=CC(=N2)N)N)C

InChI

InChI=1S/C13H16N4S/c1-8-3-4-10(9(2)5-8)7-18-13-16-11(14)6-12(15)17-13/h3-6H,7H2,1-2H3,(H4,14,15,16,17)