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

Systemtic Name: phenethyl 4-[[4-(diethylamino)phenyl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-[4-(diethylamino)anilino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-(diethylamino)anilino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-[4-(diethylamino)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[4-(diethylamino)anilino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O2S/c1-4-30(5-2)21-13-11-20(12-14-21)29-24-22-18(3)23(33-25(22)28-17-27-24)26(31)32-16-15-19-9-7-6-8-10-19/h6-14,17H,4-5,15-16H2,1-3H3,(H,27,28,29)