ethyl 5-azanyl-3-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(4-amino-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(4-amino-5-cyano-2-pyrimidinyl)thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(4-amino-5-cyanopyrimidin-2-yl)sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(4-amino-5-cyano-pyrimidin-2-yl)thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C14H12N6O2S2 MolecularWeight: 360.41408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C14H12N6O2S2/c1-2-22-13(21)10-9(8(4-16)12(18)24-10)6-23-14-19-5-7(3-15)11(17)20-14/h5H,2,6,18H2,1H3,(H2,17,19,20)