ethyl 4-[(3-methoxyphenyl)amino]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[(3-methoxyphenyl)amino]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(3-methoxyanilino)-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-methoxyanilino)-5-methyl-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methoxyanilino)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(m-anisidino)-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C3=CC=CC=C3)NC4=CC(=CC=C4)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C3=CC=CC=C3)NC4=CC(=CC=C4)OC)C

InChI

InChI=1S/C23H21N3O3S/c1-4-29-23(27)19-14(2)18-21(24-16-11-8-12-17(13-16)28-3)25-20(26-22(18)30-19)15-9-6-5-7-10-15/h5-13H,4H2,1-3H3,(H,24,25,26)