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

Systemtic Name: ethyl 5-methyl-4-(2-methylpropylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(isobutylamino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(2-methylpropylamino)-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(2-methylpropylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(isobutylamino)-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S2/c1-5-26-21(25)18-14(4)17-19(22-11-13(2)3)23-16(24-20(17)28-18)12-27-15-9-7-6-8-10-15/h6-10,13H,5,11-12H2,1-4H3,(H,22,23,24)