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

Systemtic Name: methyl 5-methyl-4-oxidanylidene-2-[(N'-phenylcarbamimidoyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-oxo-2-[(N'-phenylcarbamimidoyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[[amino(phenylimino)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'-phenylcarbamimidoyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[[(N'-phenylamidino)thio]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC(=NC3=CC=CC=C3)N)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC(=NC3=CC=CC=C3)N)C(=O)OC

InChI

InChI=1S/C17H16N4O3S2/c1-9-12-14(22)20-11(21-15(12)26-13(9)16(23)24-2)8-25-17(18)19-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,18,19)(H,20,21,22)