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

Systemtic Name: methyl 3-azanyl-2-[1-(cyclopentylamino)-1-oxidanylidene-butan-2-yl]sulfanyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 3-amino-2-[1-(cyclopentylcarbamoyl)propylsulfanyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-amino-2-[[1-(cyclopentylamino)-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-(cyclopentylamino)-1-oxobutan-2-yl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-amino-2-[1-(cyclopentylcarbamoyl)propylthio]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H24N4O4S2 MolecularWeight: 424.53756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1CCCC1)SC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2N

Isomeric SMILES

CCC(C(=O)NC1CCCC1)SC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2N

InChI

InChI=1S/C18H24N4O4S2/c1-4-11(14(23)20-10-7-5-6-8-10)27-18-21-15-12(16(24)22(18)19)9(2)13(28-15)17(25)26-3/h10-11H,4-8,19H2,1-3H3,(H,20,23)