4-[6-[(4-azanylpyrimidin-5-yl)methylamino]-5-bromanyl-pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide

Systemtic Name: 4-[6-[(4-azanylpyrimidin-5-yl)methylamino]-5-bromanyl-pyridin-3-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[[6-[(4-aminopyrimidin-5-yl)methylamino]-5-bromo-3-pyridyl]sulfonyl]-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[[6-[(4-amino-5-pyrimidinyl)methylamino]-5-bromo-3-pyridinyl]sulfonyl]-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[6-[(4-aminopyrimidin-5-yl)methylamino]-5-bromopyridin-3-yl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[[6-[(4-aminopyrimidin-5-yl)methylamino]-5-bromo-3-pyridyl]sulfonyl]-5-(methylthio)thiophene-2-carboxamidine Formula: C16H16BrN7O2S3 MolecularWeight: 514.44294

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC(=C(N=C2)NCC3=CN=CN=C3N)Br

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC(=C(N=C2)NCC3=CN=CN=C3N)Br

InChI

InChI=1S/C16H16BrN7O2S3/c1-27-16-12(3-11(28-16)13(18)19)29(25,26)9-2-10(17)15(23-6-9)22-5-8-4-21-7-24-14(8)20/h2-4,6-7H,5H2,1H3,(H3,18,19)(H,22,23)(H2,20,21,24)