5-but-1-ynyl-N-methyl-2-methylsulfanyl-pyrimidin-4-amine

Systemtic Name: 5-but-1-ynyl-N-methyl-2-methylsulfanyl-pyrimidin-4-amine Openeye Name: 5-but-1-ynyl-N-methyl-2-methylsulfanyl-pyrimidin-4-amine CAS Name: 5-but-1-ynyl-N-methyl-2-(methylthio)-4-pyrimidinamine IUPAC Name: 5-but-1-ynyl-N-methyl-2-methylsulfanylpyrimidin-4-amine Traditional Name: [5-but-1-ynyl-2-(methylthio)pyrimidin-4-yl]-methyl-amine Formula: C10H13N3S MolecularWeight: 207.29532

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1=CN=C(N=C1NC)SC

Isomeric SMILES

CCC#CC1=CN=C(N=C1NC)SC

InChI

InChI=1S/C10H13N3S/c1-4-5-6-8-7-12-10(14-3)13-9(8)11-2/h7H,4H2,1-3H3,(H,11,12,13)