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

Systemtic Name: 2-azanyl-5-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-diethoxy-phenyl]benzenecarbonitrile Openeye Name: 2-amino-5-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxy-phenyl]benzonitrile CAS Name: 2-amino-5-[4-[(2,4-diamino-5-pyrimidinyl)methyl]-2,6-diethoxyphenyl]benzonitrile IUPAC Name: 2-amino-5-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxyphenyl]benzonitrile Traditional Name: 2-amino-5-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxy-phenyl]benzonitrile Formula: C22H24N6O2 MolecularWeight: 404.46496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O2/c1-3-29-18-8-13(7-16-12-27-22(26)28-21(16)25)9-19(30-4-2)20(18)14-5-6-17(24)15(10-14)11-23/h5-6,8-10,12H,3-4,7,24H2,1-2H3,(H4,25,26,27,28)