2-azanyl-4-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-6-(methylthio)pyrimidine-5-carbonitrile Formula: C15H12N4O3S2 MolecularWeight: 360.41078

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC(=N1)N)SCC(=O)C2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CSC1=C(C(=NC(=N1)N)SCC(=O)C2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C15H12N4O3S2/c1-23-13-9(5-16)14(19-15(17)18-13)24-6-10(20)8-2-3-11-12(4-8)22-7-21-11/h2-4H,6-7H2,1H3,(H2,17,18,19)