ethyl 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-3-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H23N5O4S MolecularWeight: 441.50342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCN(CC3)C4=CC=CC=N4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCN(CC3)C4=CC=CC=N4)C

InChI

InChI=1S/C21H23N5O4S/c1-3-30-21(29)18-14(2)17-19(31-18)23-13-26(20(17)28)12-16(27)25-10-8-24(9-11-25)15-6-4-5-7-22-15/h4-7,13H,3,8-12H2,1-2H3