4-[[5-(2-phenylethynyl)pyrimidin-4-yl]amino]phenol

Systemtic Name: 4-[[5-(2-phenylethynyl)pyrimidin-4-yl]amino]phenol Openeye Name: 4-[[5-(2-phenylethynyl)pyrimidin-4-yl]amino]phenol CAS Name: 4-[[5-(2-phenylethynyl)-4-pyrimidinyl]amino]phenol IUPAC Name: 4-[[5-(2-phenylethynyl)pyrimidin-4-yl]amino]phenol Traditional Name: 4-[[5-(2-phenylethynyl)pyrimidin-4-yl]amino]phenol Formula: C18H13N3O MolecularWeight: 287.31532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CN=CN=C2NC3=CC=C(C=C3)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CN=CN=C2NC3=CC=C(C=C3)O

InChI

InChI=1S/C18H13N3O/c22-17-10-8-16(9-11-17)21-18-15(12-19-13-20-18)7-6-14-4-2-1-3-5-14/h1-5,8-13,22H,(H,19,20,21)