N5,6-dimethyl-2-(phenylmethylsulfanyl)pyrimidine-4,5-diamine

Systemtic Name: N5,6-dimethyl-2-(phenylmethylsulfanyl)pyrimidine-4,5-diamine Openeye Name: 2-benzylsulfanyl-N5,6-dimethyl-pyrimidine-4,5-diamine CAS Name: N5,6-dimethyl-2-(phenylmethylthio)pyrimidine-4,5-diamine IUPAC Name: 2-benzylsulfanyl-5-N,6-dimethylpyrimidine-4,5-diamine Traditional Name: [4-amino-2-(benzylthio)-6-methyl-pyrimidin-5-yl]-methyl-amine Formula: C13H16N4S MolecularWeight: 260.35794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)N)NC

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)N)NC

InChI

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