4-(1,3-benzodioxol-5-yl)-1-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-methyl-2-methylsulfanyl-6-oxo-pyrimidine-5-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-keto-1-methyl-2-(methylthio)pyrimidine-5-carbonitrile Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1SC)C2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CN1C(=O)C(=C(N=C1SC)C2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C14H11N3O3S/c1-17-13(18)9(6-15)12(16-14(17)21-2)8-3-4-10-11(5-8)20-7-19-10/h3-5H,7H2,1-2H3