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

Systemtic Name: phenethyl 4-[(3,4-dichlorophenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-(3,4-dichloroanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3,4-dichloroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(3,4-dichloroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3,4-dichloroanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C22H17Cl2N3O2S MolecularWeight: 458.36028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17Cl2N3O2S/c1-13-18-20(27-15-7-8-16(23)17(24)11-15)25-12-26-21(18)30-19(13)22(28)29-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,25,26,27)