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

Systemtic Name: phenethyl 4-[(3,4-diethoxyphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-(3,4-diethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3,4-diethoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(3,4-diethoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3,4-diethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C)OCC

InChI

InChI=1S/C26H27N3O4S/c1-4-31-20-12-11-19(15-21(20)32-5-2)29-24-22-17(3)23(34-25(22)28-16-27-24)26(30)33-14-13-18-9-7-6-8-10-18/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,27,28,29)