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

Systemtic Name: ethyl 2-[(N'-tert-butylcarbamimidoyl)sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H22N4O3S2 MolecularWeight: 382.50088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSC(=NC(C)(C)C)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSC(=NC(C)(C)C)N)C

InChI

InChI=1S/C16H22N4O3S2/c1-6-23-14(22)11-8(2)10-12(21)18-9(19-13(10)25-11)7-24-15(17)20-16(3,4)5/h6-7H2,1-5H3,(H2,17,20)(H,18,19,21)