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

Systemtic Name: ethyl 4-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C22H29N7O4 MolecularWeight: 455.51016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

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