ethyl 5-[2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanylethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanylethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanylacetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]thio]-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanylacetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]thio]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H16N6O3S3 MolecularWeight: 448.54234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC(=NC(=C2C#N)SC)N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC(=NC(=C2C#N)SC)N)C#N)C

InChI

InChI=1S/C17H16N6O3S3/c1-4-26-16(25)12-8(2)9(5-18)15(29-12)21-11(24)7-28-14-10(6-19)13(27-3)22-17(20)23-14/h4,7H2,1-3H3,(H,21,24)(H2,20,22,23)