4-methyl-3-[2-[3-(1-methylimidazol-2-yl)phenoxy]-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-benzenecarbonitrile

Systemtic Name: 4-methyl-3-[2-[3-(1-methylimidazol-2-yl)phenoxy]-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-benzenecarbonitrile Openeye Name: 3-[6-(benzylamino)-2-[3-(1-methylimidazol-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-4-methyl-benzonitrile CAS Name: 4-methyl-3-[[2-[3-(1-methyl-2-imidazolyl)phenoxy]-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]benzonitrile IUPAC Name: 3-[6-(benzylamino)-2-[3-(1-methylimidazol-2-yl)phenoxy]-5-nitropyrimidin-4-yl]oxy-4-methylbenzonitrile Traditional Name: 3-[6-(benzylamino)-2-[3-(1-methylimidazol-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-4-methyl-benzonitrile Formula: C29H23N7O4 MolecularWeight: 533.53742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)OC4=CC=CC(=C4)C5=NC=CN5C

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)OC4=CC=CC(=C4)C5=NC=CN5C

InChI

InChI=1S/C29H23N7O4/c1-19-11-12-21(17-30)15-24(19)40-28-25(36(37)38)26(32-18-20-7-4-3-5-8-20)33-29(34-28)39-23-10-6-9-22(16-23)27-31-13-14-35(27)2/h3-16H,18H2,1-2H3,(H,32,33,34)