methyl 3-azanyl-2-[1-(butylamino)-1-oxidanylidene-butan-2-yl]sulfanyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 3-azanyl-2-[1-(butylamino)-1-oxidanylidene-butan-2-yl]sulfanyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 3-amino-2-[1-(butylcarbamoyl)propylsulfanyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-amino-2-[[1-(butylamino)-1-oxobutan-2-yl]thio]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-2-[1-(butylamino)-1-oxobutan-2-yl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-amino-2-[1-(butylcarbamoyl)propylthio]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C17H24N4O4S2 MolecularWeight: 412.52686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC)SC1=NC2=C(C(=C(S2)C(=O)OC)C)C(=O)N1N

Isomeric SMILES

CCCCNC(=O)C(CC)SC1=NC2=C(C(=C(S2)C(=O)OC)C)C(=O)N1N

InChI

InChI=1S/C17H24N4O4S2/c1-5-7-8-19-13(22)10(6-2)26-17-20-14-11(15(23)21(17)18)9(3)12(27-14)16(24)25-4/h10H,5-8,18H2,1-4H3,(H,19,22)