ethyl 4-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-(2-thiophen-2-ylethylamino)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H22N6O4S MolecularWeight: 406.45938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O4S/c1-2-27-17(24)22-9-7-21(8-10-22)16-14(23(25)26)15(19-12-20-16)18-6-5-13-4-3-11-28-13/h3-4,11-12H,2,5-10H2,1H3,(H,18,19,20)