N-[2-[[2-[(4-morpholin-4-ylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[2-[(4-morpholin-4-ylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[2-(4-morpholinoanilino)-5-nitro-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[2-[4-(4-morpholinyl)anilino]-5-nitro-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[2-(4-morpholin-4-ylanilino)-5-nitropyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[2-(4-morpholinoanilino)-5-nitro-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C18H23N7O4 MolecularWeight: 401.41972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)N3CCOCC3

InChI

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