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

Systemtic Name: ethyl 4-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27N7O4 MolecularWeight: 441.48358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N7O4/c1-2-32-21(29)27-14-12-26(13-15-27)20-18(28(30)31)19(22-16-23-20)25-10-8-24(9-11-25)17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3