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

Systemtic Name: phenethyl 4-[(3,4-dimethoxyphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-(3,4-dimethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3,4-dimethoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(3,4-dimethoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3,4-dimethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3)OC)OC)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3)OC)OC)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O4S/c1-15-20-22(27-17-9-10-18(29-2)19(13-17)30-3)25-14-26-23(20)32-21(15)24(28)31-12-11-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,25,26,27)