4-[[2,6-bis(azanyl)-5-(4-chlorophenyl)pyrimidin-4-yl]methoxy]benzenecarbonitrile

Systemtic Name: 4-[[2,6-bis(azanyl)-5-(4-chlorophenyl)pyrimidin-4-yl]methoxy]benzenecarbonitrile Openeye Name: 4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile CAS Name: 4-[[2,6-diamino-5-(4-chlorophenyl)-4-pyrimidinyl]methoxy]benzonitrile IUPAC Name: 4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile Traditional Name: 4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile Formula: C18H14ClN5O MolecularWeight: 351.78966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1C#N)OCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClN5O/c19-13-5-3-12(4-6-13)16-15(23-18(22)24-17(16)21)10-25-14-7-1-11(9-20)2-8-14/h1-8H,10H2,(H4,21,22,23,24)