ethyl 4-[[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H29N7O4 MolecularWeight: 455.51016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N7O4/c1-2-33-22(30)28-10-8-17(9-11-28)25-20-19(29(31)32)21(24-16-23-20)27-14-12-26(13-15-27)18-6-4-3-5-7-18/h3-7,16-17H,2,8-15H2,1H3,(H,23,24,25)