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

Systemtic Name: 2-[4-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-amino-6-methyl-pyrimidin-2-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(4-amino-6-methyl-2-pyrimidinyl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(4-amino-6-methyl-pyrimidin-2-yl)thio]methyl]phenyl]benzonitrile Formula: C19H16N4S MolecularWeight: 332.42214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)N

InChI

InChI=1S/C19H16N4S/c1-13-10-18(21)23-19(22-13)24-12-14-6-8-15(9-7-14)17-5-3-2-4-16(17)11-20/h2-10H,12H2,1H3,(H2,21,22,23)