ethyl 4-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C23H31N7O4 MolecularWeight: 469.53674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C23H31N7O4/c1-4-34-23(31)29-14-12-28(13-15-29)22-20(30(32)33)21(24-16-25-22)27-10-8-26(9-11-27)19-7-5-6-17(2)18(19)3/h5-7,16H,4,8-15H2,1-3H3