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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O2S2/c1-3-26-19(25)17-15(14(10-21)18(22)28-17)11-27-20-23-12(2)9-16(24-20)13-7-5-4-6-8-13/h4-9H,3,11,22H2,1-2H3