2-[4-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-1-piperazinyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]piperazin-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]piperazino]-1-morpholino-ethanone Formula: C20H24ClN7O4 MolecularWeight: 461.90206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N2CCOCC2)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CC(=O)N2CCOCC2)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H24ClN7O4/c21-15-1-3-16(4-2-15)23-20-22-13-17(28(30)31)19(24-20)27-7-5-25(6-8-27)14-18(29)26-9-11-32-12-10-26/h1-4,13H,5-12,14H2,(H,22,23,24)