4-[2-[3-(dimethylamino)phenoxy]-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[2-[3-(dimethylamino)phenoxy]-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-2-methyl-benzenecarbonitrile Openeye Name: 4-[6-(benzylamino)-2-[3-(dimethylamino)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-2-methyl-benzonitrile CAS Name: 4-[[2-[3-(dimethylamino)phenoxy]-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-2-methylbenzonitrile IUPAC Name: 4-[6-(benzylamino)-2-[3-(dimethylamino)phenoxy]-5-nitropyrimidin-4-yl]oxy-2-methylbenzonitrile Traditional Name: 4-[6-(benzylamino)-2-[3-(dimethylamino)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-2-methyl-benzonitrile Formula: C27H24N6O4 MolecularWeight: 496.51726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)OC4=CC=CC(=C4)N(C)C)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)OC4=CC=CC(=C4)N(C)C)C#N

InChI

InChI=1S/C27H24N6O4/c1-18-14-23(13-12-20(18)16-28)36-26-24(33(34)35)25(29-17-19-8-5-4-6-9-19)30-27(31-26)37-22-11-7-10-21(15-22)32(2)3/h4-15H,17H2,1-3H3,(H,29,30,31)