phenethyl 5-methyl-4-[(4-pyrrolidin-1-ylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 5-methyl-4-[(4-pyrrolidin-1-ylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-4-(4-pyrrolidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(1-pyrrolidinyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-(4-pyrrolidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-pyrrolidinoanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)N4CCCC4)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)N4CCCC4)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2S/c1-18-22-24(29-20-9-11-21(12-10-20)30-14-5-6-15-30)27-17-28-25(22)33-23(18)26(31)32-16-13-19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,27,28,29)