4-methoxy-3-[2-(3-methylphenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-benzenecarbonitrile

Systemtic Name: 4-methoxy-3-[2-(3-methylphenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-benzenecarbonitrile Openeye Name: 3-[6-(benzylamino)-2-(3-methylphenoxy)-5-nitro-pyrimidin-4-yl]oxy-4-methoxy-benzonitrile CAS Name: 4-methoxy-3-[[2-(3-methylphenoxy)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]benzonitrile IUPAC Name: 3-[6-(benzylamino)-2-(3-methylphenoxy)-5-nitropyrimidin-4-yl]oxy-4-methoxybenzonitrile Traditional Name: 3-[6-(benzylamino)-2-(3-methylphenoxy)-5-nitro-pyrimidin-4-yl]oxy-4-methoxy-benzonitrile Formula: C26H21N5O5 MolecularWeight: 483.47544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC(=C(C(=N2)OC3=C(C=CC(=C3)C#N)OC)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=C(C(=N2)OC3=C(C=CC(=C3)C#N)OC)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C26H21N5O5/c1-17-7-6-10-20(13-17)35-26-29-24(28-16-18-8-4-3-5-9-18)23(31(32)33)25(30-26)36-22-14-19(15-27)11-12-21(22)34-2/h3-14H,16H2,1-2H3,(H,28,29,30)