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

Systemtic Name: 3-[5-azanyl-2-(3-methylphenoxy)-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-4-methoxy-benzenecarbonitrile Openeye Name: 3-[5-amino-6-(benzylamino)-2-(3-methylphenoxy)pyrimidin-4-yl]oxy-4-methoxy-benzonitrile CAS Name: 3-[[5-amino-2-(3-methylphenoxy)-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-4-methoxybenzonitrile IUPAC Name: 3-[5-amino-6-(benzylamino)-2-(3-methylphenoxy)pyrimidin-4-yl]oxy-4-methoxybenzonitrile Traditional Name: 3-[5-amino-6-(benzylamino)-2-(3-methylphenoxy)pyrimidin-4-yl]oxy-4-methoxy-benzonitrile Formula: C26H23N5O3 MolecularWeight: 453.49252

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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)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=C(C(=N2)OC3=C(C=CC(=C3)C#N)OC)N)NCC4=CC=CC=C4

InChI

InChI=1S/C26H23N5O3/c1-17-7-6-10-20(13-17)33-26-30-24(29-16-18-8-4-3-5-9-18)23(28)25(31-26)34-22-14-19(15-27)11-12-21(22)32-2/h3-14H,16,28H2,1-2H3,(H,29,30,31)