ethyl 5-azanyl-4-cyano-3-[(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CC3=C(SC(=C3C#N)N)C(=O)OCC

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CC3=C(SC(=C3C#N)N)C(=O)OCC

InChI

InChI=1S/C17H16N4O3S2/c1-3-9-5-10-15(25-9)20-8-21(16(10)22)7-12-11(6-18)14(19)26-13(12)17(23)24-4-2/h5,8H,3-4,7,19H2,1-2H3