2-ethyl-4,5-dimethyl-N-[2-[(4-nitrophenyl)amino]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-ethyl-4,5-dimethyl-N-[2-[(4-nitrophenyl)amino]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-ethyl-4,5-dimethyl-N-[2-(4-nitroanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-ethyl-4,5-dimethyl-N-[2-(4-nitroanilino)ethyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-ethyl-4,5-dimethyl-N-[2-(4-nitroanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-ethyl-4,5-dimethyl-N-[2-(4-nitroanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C19H21N5O3S MolecularWeight: 399.46674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C(=C(SC2=N1)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CCC1=NC(=C2C(=C(SC2=N1)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C19H21N5O3S/c1-4-15-22-12(3)16-11(2)17(28-19(16)23-15)18(25)21-10-9-20-13-5-7-14(8-6-13)24(26)27/h5-8,20H,4,9-10H2,1-3H3,(H,21,25)