6-ethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-3-[[4-(4-nitrophenyl)piperazino]methyl]thieno[2,3-d]pyrimidin-4-one Formula: C19H21N5O3S MolecularWeight: 399.46674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O3S/c1-2-16-11-17-18(28-16)20-12-23(19(17)25)13-21-7-9-22(10-8-21)14-3-5-15(6-4-14)24(26)27/h3-6,11-12H,2,7-10,13H2,1H3