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

Systemtic Name: 4-[[4-[[4-(hydroxymethyl)phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[4-(hydroxymethyl)anilino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[4-(hydroxymethyl)anilino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[4-(hydroxymethyl)anilino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(4-methylolanilino)pyrimidin-2-yl]amino]benzonitrile Formula: C18H15N5O MolecularWeight: 317.3446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CO)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC=C1CO)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H15N5O/c19-11-13-1-5-16(6-2-13)22-18-20-10-9-17(23-18)21-15-7-3-14(12-24)4-8-15/h1-10,24H,12H2,(H2,20,21,22,23)