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

Systemtic Name: ethyl 5-methyl-4-(3-methylsulfonylpropylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(3-methylsulfonylpropylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(3-methylsulfonylpropylamino)-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(3-methylsulfonylpropylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-mesylpropylamino)-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H25N3O4S3 MolecularWeight: 479.6359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S3/c1-4-28-21(25)18-14(2)17-19(22-11-8-12-31(3,26)27)23-16(24-20(17)30-18)13-29-15-9-6-5-7-10-15/h5-7,9-10H,4,8,11-13H2,1-3H3,(H,22,23,24)