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

Systemtic Name: ethyl 5-azanyl-4-(3-nitrophenyl)-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-(3-nitrophenyl)-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-(3-nitrophenyl)-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-(3-nitrophenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(3-nitrophenyl)-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])N

InChI

InChI=1S/C21H16N4O4S/c1-2-29-21(26)18-16(22)15-17(13-9-6-10-14(11-13)25(27)28)23-19(24-20(15)30-18)12-7-4-3-5-8-12/h3-11H,2,22H2,1H3