4-[[4-[[2-chloranyl-4-(hydroxymethyl)-6-methoxy-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[2-chloranyl-4-(hydroxymethyl)-6-methoxy-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[2-chloro-4-(hydroxymethyl)-6-methoxy-anilino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[2-chloro-4-(hydroxymethyl)-6-methoxyanilino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[2-chloro-4-(hydroxymethyl)-6-methoxyanilino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(2-chloro-6-methoxy-4-methylol-anilino)pyrimidin-2-yl]amino]benzonitrile Formula: C19H16ClN5O2 MolecularWeight: 381.81564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CO)Cl)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=C(C(=CC(=C1)CO)Cl)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H16ClN5O2/c1-27-16-9-13(11-26)8-15(20)18(16)24-17-6-7-22-19(25-17)23-14-4-2-12(10-21)3-5-14/h2-9,26H,11H2,1H3,(H2,22,23,24,25)