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

Systemtic Name: ethyl 4-[(4-tert-butylphenyl)amino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(4-tert-butylanilino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-tert-butylanilino)-5-methyl-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-tert-butylanilino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-tert-butylanilino)-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C27H29N3O2S2 MolecularWeight: 491.66806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)NC4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)NC4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C27H29N3O2S2/c1-6-32-26(31)23-17(2)22-24(28-19-14-12-18(13-15-19)27(3,4)5)29-21(30-25(22)34-23)16-33-20-10-8-7-9-11-20/h7-15H,6,16H2,1-5H3,(H,28,29,30)