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

Systemtic Name: phenethyl 5-methyl-4-[(3-nitrophenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C22H18N4O4S MolecularWeight: 434.46772

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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)OCCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O4S/c1-14-18-20(25-16-8-5-9-17(12-16)26(28)29)23-13-24-21(18)31-19(14)22(27)30-11-10-15-6-3-2-4-7-15/h2-9,12-13H,10-11H2,1H3,(H,23,24,25)