ethyl 5-azanyl-2-methylsulfanyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-2-methylsulfanyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-2-methylsulfanyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-(methylthio)-4-(3-nitrophenyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-methylsulfanyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2-(methylthio)-4-(3-nitrophenyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H14N4O4S2 MolecularWeight: 390.43676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C16H14N4O4S2/c1-3-24-15(21)13-11(17)10-12(18-16(25-2)19-14(10)26-13)8-5-4-6-9(7-8)20(22)23/h4-7H,3,17H2,1-2H3