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

Systemtic Name: phenethyl 5-methyl-4-[(4-phenylmethoxyphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-(4-benzyloxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-phenylmethoxyanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-(4-phenylmethoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-benzoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C29H25N3O3S MolecularWeight: 495.5921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C29H25N3O3S/c1-20-25-27(32-23-12-14-24(15-13-23)35-18-22-10-6-3-7-11-22)30-19-31-28(25)36-26(20)29(33)34-17-16-21-8-4-2-5-9-21/h2-15,19H,16-18H2,1H3,(H,30,31,32)