2-methoxyethyl 5-methyl-4-[(3-nitrophenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methoxyethyl 5-methyl-4-[(3-nitrophenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 5-methyl-4-(3-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(3-nitroanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-methyl-4-(3-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(3-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C17H16N4O5S/c1-10-13-15(20-11-4-3-5-12(8-11)21(23)24)18-9-19-16(13)27-14(10)17(22)26-7-6-25-2/h3-5,8-9H,6-7H2,1-2H3,(H,18,19,20)