2-(4-azanyl-6-phenylazanyl-pyrimidin-5-yl)sulfanylethanenitrile

Systemtic Name: 2-(4-azanyl-6-phenylazanyl-pyrimidin-5-yl)sulfanylethanenitrile Openeye Name: 2-(4-amino-6-anilino-pyrimidin-5-yl)sulfanylacetonitrile CAS Name: 2-[(4-amino-6-anilino-5-pyrimidinyl)thio]acetonitrile IUPAC Name: 2-(4-amino-6-anilinopyrimidin-5-yl)sulfanylacetonitrile Traditional Name: 2-[(4-amino-6-anilino-pyrimidin-5-yl)thio]acetonitrile Formula: C12H11N5S MolecularWeight: 257.31424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=NC(=C2SCC#N)N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=NC(=C2SCC#N)N

InChI

InChI=1S/C12H11N5S/c13-6-7-18-10-11(14)15-8-16-12(10)17-9-4-2-1-3-5-9/h1-5,8H,7H2,(H3,14,15,16,17)