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

Systemtic Name: ethyl 4-[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-[2-(1-piperidyl)ethylamino]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-[2-(1-piperidinyl)ethylamino]-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H29N7O4 MolecularWeight: 407.46736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H29N7O4/c1-2-29-18(26)24-12-10-23(11-13-24)17-15(25(27)28)16(20-14-21-17)19-6-9-22-7-4-3-5-8-22/h14H,2-13H2,1H3,(H,19,20,21)