(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(cyclopropylsulfamoyl)thiophene-2-carboxylate

Systemtic Name: (4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(cyclopropylsulfamoyl)thiophene-2-carboxylate Openeye Name: (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(cyclopropylsulfamoyl)thiophene-2-carboxylate CAS Name: 3-(cyclopropylsulfamoyl)-2-thiophenecarboxylic acid (4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)methyl ester IUPAC Name: (4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl 3-(cyclopropylsulfamoyl)thiophene-2-carboxylate Traditional Name: 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C17H18N4O4S3 MolecularWeight: 438.54422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)COC(=O)C3=C(C=CS3)S(=O)(=O)NC4CC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)COC(=O)C3=C(C=CS3)S(=O)(=O)NC4CC4)C

InChI

InChI=1S/C17H18N4O4S3/c1-8-9(2)27-16-13(8)15(18)19-12(20-16)7-25-17(22)14-11(5-6-26-14)28(23,24)21-10-3-4-10/h5-6,10,21H,3-4,7H2,1-2H3,(H2,18,19,20)