5-(3-nitrophenyl)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(3-nitrophenyl)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(3-nitrophenyl)-3-[2-oxo-2-(1-piperidyl)ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3-nitrophenyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(3-nitrophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-keto-2-piperidino-ethyl)-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Formula: C19H18N4O4S MolecularWeight: 398.43562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S/c24-16(21-7-2-1-3-8-21)10-22-12-20-18-17(19(22)25)15(11-28-18)13-5-4-6-14(9-13)23(26)27/h4-6,9,11-12H,1-3,7-8,10H2