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

Systemtic Name: ethyl 5-methyl-4-(pentan-3-ylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(1-ethylpropylamino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(pentan-3-ylamino)-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(pentan-3-ylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(1-ethylpropylamino)-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C2C(=C(SC2=NC(=N1)CSC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCC(CC)NC1=C2C(=C(SC2=NC(=N1)CSC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C22H27N3O2S2/c1-5-15(6-2)23-20-18-14(4)19(22(26)27-7-3)29-21(18)25-17(24-20)13-28-16-11-9-8-10-12-16/h8-12,15H,5-7,13H2,1-4H3,(H,23,24,25)