1-[4-(6-nitrothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[4-(6-nitrothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(6-nitrothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-(6-nitro-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-[4-(6-nitrothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone Traditional Name: 1-[4-(6-nitrothieno[2,3-d]pyrimidin-4-yl)piperazino]-2-phenyl-ethanone Formula: C18H17N5O3S MolecularWeight: 383.42428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=C(SC3=NC=N2)[N+](=O)[O-])C(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C3C=C(SC3=NC=N2)[N+](=O)[O-])C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C18H17N5O3S/c24-15(10-13-4-2-1-3-5-13)21-6-8-22(9-7-21)17-14-11-16(23(25)26)27-18(14)20-12-19-17/h1-5,11-12H,6-10H2