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

Systemtic Name: 3-[[4-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]-2-chloranyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 3-[[2-chloro-4-(2,4-diamino-6-methyl-pyrimidin-5-yl)phenoxy]methyl]benzonitrile CAS Name: 3-[[2-chloro-4-(2,4-diamino-6-methyl-5-pyrimidinyl)phenoxy]methyl]benzonitrile IUPAC Name: 3-[[2-chloro-4-(2,4-diamino-6-methylpyrimidin-5-yl)phenoxy]methyl]benzonitrile Traditional Name: 3-[[2-chloro-4-(2,4-diamino-6-methyl-pyrimidin-5-yl)phenoxy]methyl]benzonitrile Formula: C19H16ClN5O MolecularWeight: 365.81624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)OCC3=CC=CC(=C3)C#N)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)OCC3=CC=CC(=C3)C#N)Cl

InChI

InChI=1S/C19H16ClN5O/c1-11-17(18(22)25-19(23)24-11)14-5-6-16(15(20)8-14)26-10-13-4-2-3-12(7-13)9-21/h2-8H,10H2,1H3,(H4,22,23,24,25)