ethyl 4-[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[3-(4-morpholinyl)propylamino]-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(3-morpholin-4-ylpropylamino)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H29N7O5 MolecularWeight: 423.46676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H29N7O5/c1-2-30-18(26)24-8-6-23(7-9-24)17-15(25(27)28)16(20-14-21-17)19-4-3-5-22-10-12-29-13-11-22/h14H,2-13H2,1H3,(H,19,20,21)