2-[5-azanyl-4-(3-ethoxyphenoxy)-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-3-tert-butyl-benzenecarbonitrile

Systemtic Name: 2-[5-azanyl-4-(3-ethoxyphenoxy)-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-3-tert-butyl-benzenecarbonitrile Openeye Name: 2-[5-amino-4-(benzylamino)-6-(3-ethoxyphenoxy)pyrimidin-2-yl]oxy-3-tert-butyl-benzonitrile CAS Name: 2-[[5-amino-4-(3-ethoxyphenoxy)-6-[(phenylmethyl)amino]-2-pyrimidinyl]oxy]-3-tert-butylbenzonitrile IUPAC Name: 2-[5-amino-4-(benzylamino)-6-(3-ethoxyphenoxy)pyrimidin-2-yl]oxy-3-tert-butylbenzonitrile Traditional Name: 2-[5-amino-4-(benzylamino)-6-(3-ethoxyphenoxy)pyrimidin-2-yl]oxy-3-tert-butyl-benzonitrile Formula: C30H31N5O3 MolecularWeight: 509.59884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)OC2=NC(=NC(=C2N)NCC3=CC=CC=C3)OC4=C(C=CC=C4C(C)(C)C)C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)OC2=NC(=NC(=C2N)NCC3=CC=CC=C3)OC4=C(C=CC=C4C(C)(C)C)C#N

InChI

InChI=1S/C30H31N5O3/c1-5-36-22-14-10-15-23(17-22)37-28-25(32)27(33-19-20-11-7-6-8-12-20)34-29(35-28)38-26-21(18-31)13-9-16-24(26)30(2,3)4/h6-17H,5,19,32H2,1-4H3,(H,33,34,35)