3-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-diethoxy-phenyl]benzenecarbonitrile

Systemtic Name: 3-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-diethoxy-phenyl]benzenecarbonitrile Openeye Name: 3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxy-phenyl]benzonitrile CAS Name: 3-[4-[(2,4-diamino-5-pyrimidinyl)methyl]-2,6-diethoxyphenyl]benzonitrile IUPAC Name: 3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxyphenyl]benzonitrile Traditional Name: 3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxy-phenyl]benzonitrile Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC=CC(=C2)C#N)OCC)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC=CC(=C2)C#N)OCC)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C22H23N5O2/c1-3-28-18-10-15(9-17-13-26-22(25)27-21(17)24)11-19(29-4-2)20(18)16-7-5-6-14(8-16)12-23/h5-8,10-11,13H,3-4,9H2,1-2H3,(H4,24,25,26,27)