ethyl 4-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H20N6O4S MolecularWeight: 440.4756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O4S/c1-2-30-20(27)25-11-9-24(10-12-25)18-17(26(28)29)19(23-13-22-18)31-15-7-3-5-14-6-4-8-21-16(14)15/h3-8,13H,2,9-12H2,1H3