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

Systemtic Name: phenethyl 4-[(4-butylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-(4-butylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-butylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(4-butylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-butylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C26H27N3O2S/c1-3-4-8-20-11-13-21(14-12-20)29-24-22-18(2)23(32-25(22)28-17-27-24)26(30)31-16-15-19-9-6-5-7-10-19/h5-7,9-14,17H,3-4,8,15-16H2,1-2H3,(H,27,28,29)