methyl 4-azanyl-2-[4-(1,3-benzodioxol-5-yl)-5-cyano-1-methyl-6-oxidanylidene-pyrimidin-2-yl]-5-methylsulfanyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-azanyl-2-[4-(1,3-benzodioxol-5-yl)-5-cyano-1-methyl-6-oxidanylidene-pyrimidin-2-yl]-5-methylsulfanyl-pyrazole-3-carboxylate Openeye Name: methyl 4-amino-2-[4-(1,3-benzodioxol-5-yl)-5-cyano-1-methyl-6-oxo-pyrimidin-2-yl]-5-methylsulfanyl-pyrazole-3-carboxylate CAS Name: 4-amino-2-[4-(1,3-benzodioxol-5-yl)-5-cyano-1-methyl-6-oxo-2-pyrimidinyl]-5-(methylthio)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-2-[4-(1,3-benzodioxol-5-yl)-5-cyano-1-methyl-6-oxopyrimidin-2-yl]-5-methylsulfanylpyrazole-3-carboxylate Traditional Name: 4-amino-2-[4-(1,3-benzodioxol-5-yl)-5-cyano-6-keto-1-methyl-pyrimidin-2-yl]-5-(methylthio)pyrazole-3-carboxylic acid methyl ester Formula: C19H16N6O5S MolecularWeight: 440.43254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1N2C(=C(C(=N2)SC)N)C(=O)OC)C3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CN1C(=O)C(=C(N=C1N2C(=C(C(=N2)SC)N)C(=O)OC)C3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C19H16N6O5S/c1-24-17(26)10(7-20)14(9-4-5-11-12(6-9)30-8-29-11)22-19(24)25-15(18(27)28-2)13(21)16(23-25)31-3/h4-6H,8,21H2,1-3H3