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

Systemtic Name: phenethyl 4-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-(4-chloro-2,5-dimethoxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-chloro-2,5-dimethoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(4-chloro-2,5-dimethoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-chloro-2,5-dimethoxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C24H22ClN3O4S MolecularWeight: 483.96718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3OC)Cl)OC)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3OC)Cl)OC)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C24H22ClN3O4S/c1-14-20-22(28-17-12-18(30-2)16(25)11-19(17)31-3)26-13-27-23(20)33-21(14)24(29)32-10-9-15-7-5-4-6-8-15/h4-8,11-13H,9-10H2,1-3H3,(H,26,27,28)