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

Systemtic Name: phenethyl 4-[(2-methoxy-5-nitro-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-(2-methoxy-5-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-methoxy-5-nitroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(2-methoxy-5-nitroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-methoxy-5-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C23H20N4O5S MolecularWeight: 464.4937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O5S/c1-14-19-21(26-17-12-16(27(29)30)8-9-18(17)31-2)24-13-25-22(19)33-20(14)23(28)32-11-10-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,24,25,26)