3-[5-azanyl-4-(3-phenylmethoxyphenoxy)-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-4-methyl-benzenecarbonitrile

Systemtic Name: 3-[5-azanyl-4-(3-phenylmethoxyphenoxy)-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-4-methyl-benzenecarbonitrile Openeye Name: 3-[5-amino-4-(benzylamino)-6-(3-benzyloxyphenoxy)pyrimidin-2-yl]oxy-4-methyl-benzonitrile CAS Name: 3-[[5-amino-4-(3-phenylmethoxyphenoxy)-6-[(phenylmethyl)amino]-2-pyrimidinyl]oxy]-4-methylbenzonitrile IUPAC Name: 3-[5-amino-4-(benzylamino)-6-(3-phenylmethoxyphenoxy)pyrimidin-2-yl]oxy-4-methylbenzonitrile Traditional Name: 3-[5-amino-4-(3-benzoxyphenoxy)-6-(benzylamino)pyrimidin-2-yl]oxy-4-methyl-benzonitrile Formula: C32H27N5O3 MolecularWeight: 529.58848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)OC2=NC(=C(C(=N2)OC3=CC(=CC=C3)OCC4=CC=CC=C4)N)NCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)OC2=NC(=C(C(=N2)OC3=CC(=CC=C3)OCC4=CC=CC=C4)N)NCC5=CC=CC=C5

InChI

InChI=1S/C32H27N5O3/c1-22-15-16-25(19-33)17-28(22)40-32-36-30(35-20-23-9-4-2-5-10-23)29(34)31(37-32)39-27-14-8-13-26(18-27)38-21-24-11-6-3-7-12-24/h2-18H,20-21,34H2,1H3,(H,35,36,37)