dimethyl 5-azanyl-3-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H19N3O5S3 MolecularWeight: 453.55556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSCC3=C(SC(=C3C(=O)OC)N)C(=O)OC)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCC3=C(SC(=C3C(=O)OC)N)C(=O)OC)C

InChI

InChI=1S/C18H19N3O5S3/c1-7-8(2)28-16-11(7)15(22)20-10(21-16)6-27-5-9-12(17(23)25-3)14(19)29-13(9)18(24)26-4/h5-6,19H2,1-4H3,(H,20,21,22)