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

Systemtic Name: 2-[[6-azanyl-4-oxidanylidene-1-(phenylmethyl)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(6-amino-1-benzyl-4-oxo-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[[6-amino-4-oxo-1-(phenylmethyl)-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 2-[(6-amino-1-benzyl-4-oxopyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(6-amino-1-benzyl-4-keto-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C19H16N4OS MolecularWeight: 348.42154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CC(=O)N=C2SCC3=CC=CC=C3C#N)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CC(=O)N=C2SCC3=CC=CC=C3C#N)N

InChI

InChI=1S/C19H16N4OS/c20-11-15-8-4-5-9-16(15)13-25-19-22-18(24)10-17(21)23(19)12-14-6-2-1-3-7-14/h1-10H,12-13,21H2