3-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-amino-6-methyl-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(4-amino-6-methyl-2-pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-amino-6-methyl-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C13H12N4S MolecularWeight: 256.32618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C#N)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C#N)N

InChI

InChI=1S/C13H12N4S/c1-9-5-12(15)17-13(16-9)18-8-11-4-2-3-10(6-11)7-14/h2-6H,8H2,1H3,(H2,15,16,17)