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

Systemtic Name: methyl 5-methyl-4-oxidanylidene-2-[(N'-prop-2-enylcarbamimidoyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(N'-allylcarbamimidoyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[[amino(prop-2-enylimino)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'-prop-2-enylcarbamimidoyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(N'-allylamidino)thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C14H16N4O3S2 MolecularWeight: 352.43184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O3S2/c1-4-5-16-14(15)22-6-8-17-11(19)9-7(2)10(13(20)21-3)23-12(9)18-8/h4H,1,5-6H2,2-3H3,(H2,15,16)(H,17,18,19)