N-[4-[[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-[2-(4-morpholinyl)ethylamino]-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C18H23N7O4 MolecularWeight: 401.41972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N7O4/c1-13(26)22-14-2-4-15(5-3-14)23-18-16(25(27)28)17(20-12-21-18)19-6-7-24-8-10-29-11-9-24/h2-5,12H,6-11H2,1H3,(H,22,26)(H2,19,20,21,23)