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

Systemtic Name: 4-[2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylethoxy]benzenecarbonitrile Openeye Name: 4-[2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanylethoxy]benzonitrile CAS Name: 4-[2-[(4-amino-6-methyl-2-pyrimidinyl)thio]ethoxy]benzonitrile IUPAC Name: 4-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylethoxy]benzonitrile Traditional Name: 4-[2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]ethoxy]benzonitrile Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCOC2=CC=C(C=C2)C#N)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCCOC2=CC=C(C=C2)C#N)N

InChI

InChI=1S/C14H14N4OS/c1-10-8-13(16)18-14(17-10)20-7-6-19-12-4-2-11(9-15)3-5-12/h2-5,8H,6-7H2,1H3,(H2,16,17,18)