3-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylpropanenitrile

Systemtic Name: 3-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylpropanenitrile Openeye Name: 3-[6-amino-1-(4-chlorophenyl)-4-oxo-pyrimidin-2-yl]sulfanylpropanenitrile CAS Name: 3-[[6-amino-1-(4-chlorophenyl)-4-oxo-2-pyrimidinyl]thio]propanenitrile IUPAC Name: 3-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanylpropanenitrile Traditional Name: 3-[[6-amino-1-(4-chlorophenyl)-4-keto-pyrimidin-2-yl]thio]propionitrile Formula: C13H11ClN4OS MolecularWeight: 306.77064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=CC(=O)N=C2SCCC#N)N)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=CC(=O)N=C2SCCC#N)N)Cl

InChI

InChI=1S/C13H11ClN4OS/c14-9-2-4-10(5-3-9)18-11(16)8-12(19)17-13(18)20-7-1-6-15/h2-5,8H,1,7,16H2