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

Systemtic Name: phenethyl 5-methyl-4-[(4-phenoxyphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-4-(4-phenoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-phenoxyanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-(4-phenoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-phenoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C28H23N3O3S MolecularWeight: 481.56552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C28H23N3O3S/c1-19-24-26(31-21-12-14-23(15-13-21)34-22-10-6-3-7-11-22)29-18-30-27(24)35-25(19)28(32)33-17-16-20-8-4-2-5-9-20/h2-15,18H,16-17H2,1H3,(H,29,30,31)