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

Systemtic Name: ethyl 5-methyl-4-(3-oxidanylidenepiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(3-oxopiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(3-oxo-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(3-oxopiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-ketopiperazino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCNC(=O)C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCNC(=O)C3)C

InChI

InChI=1S/C14H16N4O3S/c1-3-21-14(20)11-8(2)10-12(16-7-17-13(10)22-11)18-5-4-15-9(19)6-18/h7H,3-6H2,1-2H3,(H,15,19)