2-azanyl-4-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-6-(methylthio)pyrimidine-5-carbonitrile Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC(=NC(=C2C#N)SC)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC(=NC(=C2C#N)SC)N)OC

InChI

InChI=1S/C16H16N4O3S2/c1-22-12-5-4-9(6-13(12)23-2)11(21)8-25-15-10(7-17)14(24-3)19-16(18)20-15/h4-6H,8H2,1-3H3,(H2,18,19,20)