5-bromanyl-2-(1-isoquinolin-3-ylethylsulfanyl)-6-methylsulfanyl-pyrimidin-4-amine

Systemtic Name: 5-bromanyl-2-(1-isoquinolin-3-ylethylsulfanyl)-6-methylsulfanyl-pyrimidin-4-amine Openeye Name: 5-bromo-2-[1-(3-isoquinolyl)ethylsulfanyl]-6-methylsulfanyl-pyrimidin-4-amine CAS Name: 5-bromo-2-[1-(3-isoquinolinyl)ethylthio]-6-(methylthio)-4-pyrimidinamine IUPAC Name: 5-bromo-2-(1-isoquinolin-3-ylethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine Traditional Name: [5-bromo-2-[1-(3-isoquinolyl)ethylthio]-6-(methylthio)pyrimidin-4-yl]amine Formula: C16H15BrN4S2 MolecularWeight: 407.3511

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=N1)SC3=NC(=C(C(=N3)SC)Br)N

Isomeric SMILES

CC(C1=CC2=CC=CC=C2C=N1)SC3=NC(=C(C(=N3)SC)Br)N

InChI

InChI=1S/C16H15BrN4S2/c1-9(12-7-10-5-3-4-6-11(10)8-19-12)23-16-20-14(18)13(17)15(21-16)22-2/h3-9H,1-2H3,(H2,18,20,21)