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

Systemtic Name: ethyl 4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[4-(2-hydroxyethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[4-(2-hydroxyethyl)piperazino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H27N7O5 MolecularWeight: 409.44018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N7O5/c1-2-29-17(26)23-9-7-22(8-10-23)16-14(24(27)28)15(18-13-19-16)21-5-3-20(4-6-21)11-12-25/h13,25H,2-12H2,1H3