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

Systemtic Name: methyl 2-[(N'-tert-butylcarbamimidoyl)sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(N'-tert-butylcarbamimidoyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[[amino(tert-butylimino)methyl]thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(N'-tert-butylcarbamimidoyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(N'-tert-butylamidino)thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C15H20N4O3S2 MolecularWeight: 368.4743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O3S2/c1-7-9-11(20)17-8(6-23-14(16)19-15(2,3)4)18-12(9)24-10(7)13(21)22-5/h6H2,1-5H3,(H2,16,19)(H,17,18,20)