1-[3-[[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-[2-(4-morpholinyl)ethylamino]-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O4/c1-13(25)14-3-2-4-15(11-14)22-18-16(24(26)27)17(20-12-21-18)19-5-6-23-7-9-28-10-8-23/h2-4,11-12H,5-10H2,1H3,(H2,19,20,21,22)