3-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C12H10N4OS MolecularWeight: 258.299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC(=O)C=C(N2)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC(=O)C=C(N2)N)C#N

InChI

InChI=1S/C12H10N4OS/c13-6-8-2-1-3-9(4-8)7-18-12-15-10(14)5-11(17)16-12/h1-5H,7H2,(H3,14,15,16,17)