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

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[1-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[1-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[1-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-[1-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[1-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H23N5O3S2 MolecularWeight: 481.59042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)SC3=NN=C(N3CC=C)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)SC3=NN=C(N3CC=C)C4=CC=CC=C4)C

InChI

InChI=1S/C23H23N5O3S2/c1-5-12-28-19(15-10-8-7-9-11-15)26-27-23(28)32-14(4)18-24-20(29)16-13(3)17(22(30)31-6-2)33-21(16)25-18/h5,7-11,14H,1,6,12H2,2-4H3,(H,24,25,29)