methyl 5-methyl-4-oxidanylidene-2-[(N'-phenethylcarbamimidoyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methyl-4-oxidanylidene-2-[(N'-phenethylcarbamimidoyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-oxo-2-[(N'-phenethylcarbamimidoyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[[amino(phenethylimino)methyl]thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-oxo-2-[(N'-phenethylcarbamimidoyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[[(N'-phenethylamidino)thio]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C19H20N4O3S2 MolecularWeight: 416.5171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC(=NCCC3=CC=CC=C3)N)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC(=NCCC3=CC=CC=C3)N)C(=O)OC

InChI

InChI=1S/C19H20N4O3S2/c1-11-14-16(24)22-13(23-17(14)28-15(11)18(25)26-2)10-27-19(20)21-9-8-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H2,20,21)(H,22,23,24)