ethyl 4-[[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-[2-(4-morpholinyl)ethylamino]-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C18H29N7O5 MolecularWeight: 423.46676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H29N7O5/c1-2-30-18(26)24-6-3-14(4-7-24)22-17-15(25(27)28)16(20-13-21-17)19-5-8-23-9-11-29-12-10-23/h13-14H,2-12H2,1H3,(H2,19,20,21,22)