phenethyl 5-methyl-4-[(5-nitro-2-oxidanyl-phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 5-methyl-4-[(5-nitro-2-oxidanyl-phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-(2-hydroxy-5-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-hydroxy-5-nitroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(2-hydroxy-5-nitroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-hydroxy-5-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=C(C=CC(=C3)[N+](=O)[O-])O)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=C(C=CC(=C3)[N+](=O)[O-])O)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C22H18N4O5S/c1-13-18-20(25-16-11-15(26(29)30)7-8-17(16)27)23-12-24-21(18)32-19(13)22(28)31-10-9-14-5-3-2-4-6-14/h2-8,11-12,27H,9-10H2,1H3,(H,23,24,25)