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

Systemtic Name: ethyl 5-azanyl-3-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(4-amino-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(4-amino-6-methyl-2-pyrimidinyl)thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(4-amino-6-methyl-pyrimidin-2-yl)thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C14H15N5O2S2 MolecularWeight: 349.4312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O2S2/c1-3-21-13(20)11-9(8(5-15)12(17)23-11)6-22-14-18-7(2)4-10(16)19-14/h4H,3,6,17H2,1-2H3,(H2,16,18,19)