2-[2,5-bis(azanyl)-6-methyl-pyrimidin-4-yl]sulfanylethanenitrile

Systemtic Name: 2-[2,5-bis(azanyl)-6-methyl-pyrimidin-4-yl]sulfanylethanenitrile Openeye Name: 2-(2,5-diamino-6-methyl-pyrimidin-4-yl)sulfanylacetonitrile CAS Name: 2-[(2,5-diamino-6-methyl-4-pyrimidinyl)thio]acetonitrile IUPAC Name: 2-(2,5-diamino-6-methylpyrimidin-4-yl)sulfanylacetonitrile Traditional Name: 2-[(2,5-diamino-6-methyl-pyrimidin-4-yl)thio]acetonitrile Formula: C7H9N5S MolecularWeight: 195.24486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)SCC#N)N

Isomeric SMILES

CC1=C(C(=NC(=N1)N)SCC#N)N

InChI

InChI=1S/C7H9N5S/c1-4-5(9)6(13-3-2-8)12-7(10)11-4/h3,9H2,1H3,(H2,10,11,12)