methyl 5-methyl-4-oxidanylidene-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methyl-4-oxidanylidene-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H15N5O3S2 MolecularWeight: 413.4734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NNC(=N3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NNC(=N3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C18H15N5O3S2/c1-9-12-15(24)19-11(20-16(12)28-13(9)17(25)26-2)8-27-18-21-14(22-23-18)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,19,20,24)(H,21,22,23)