3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-N,N,5-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-N,N,5-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-[2-[4-(4-isoquinolyl)piperazin-1-yl]ethyl]-N,N,5-trimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 3-[2-[4-(4-isoquinolinyl)-1-piperazinyl]ethyl]-N,N,5-trimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-N,N,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-[2-[4-(4-isoquinolyl)piperazino]ethyl]-4-keto-N,N,5-trimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H28N6O2S MolecularWeight: 476.59382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCN3CCN(CC3)C4=CN=CC5=CC=CC=C54)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCN3CCN(CC3)C4=CN=CC5=CC=CC=C54)C(=O)N(C)C

InChI

InChI=1S/C25H28N6O2S/c1-17-21-23(34-22(17)25(33)28(2)3)27-16-31(24(21)32)13-10-29-8-11-30(12-9-29)20-15-26-14-18-6-4-5-7-19(18)20/h4-7,14-16H,8-13H2,1-3H3