4-[6-[(E)-2-(4-bromophenyl)ethenyl]-2-morpholin-4-yl-5-nitro-pyrimidin-4-yl]morpholine

Systemtic Name: 4-[6-[(E)-2-(4-bromophenyl)ethenyl]-2-morpholin-4-yl-5-nitro-pyrimidin-4-yl]morpholine Openeye Name: 4-[6-[(E)-2-(4-bromophenyl)vinyl]-2-morpholino-5-nitro-pyrimidin-4-yl]morpholine CAS Name: 4-[6-[(E)-2-(4-bromophenyl)ethenyl]-2-(4-morpholinyl)-5-nitro-4-pyrimidinyl]morpholine IUPAC Name: 4-[6-[(E)-2-(4-bromophenyl)ethenyl]-2-morpholin-4-yl-5-nitropyrimidin-4-yl]morpholine Traditional Name: 4-[6-[(E)-2-(4-bromophenyl)vinyl]-2-morpholino-5-nitro-pyrimidin-4-yl]morpholine Formula: C20H22BrN5O4 MolecularWeight: 476.32378

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=C2[N+](=O)[O-])C=CC3=CC=C(C=C3)Br)N4CCOCC4

Isomeric SMILES

C1COCCN1C2=NC(=NC(=C2[N+](=O)[O-])/C=C/C3=CC=C(C=C3)Br)N4CCOCC4

InChI

InChI=1S/C20H22BrN5O4/c21-16-4-1-15(2-5-16)3-6-17-18(26(27)28)19(24-7-11-29-12-8-24)23-20(22-17)25-9-13-30-14-10-25/h1-6H,7-14H2/b6-3+