4-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)-sulfanyl-methyl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(C2=NC(=O)C=C(N2)N)S

Isomeric SMILES

C1=CC(=CC=C1C#N)C(C2=NC(=O)C=C(N2)N)S

InChI

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