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

Systemtic Name: 4-[[2-azanyl-5-(2-phenylethynyl)pyrimidin-4-yl]amino]phenol Openeye Name: 4-[[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]amino]phenol CAS Name: 4-[[2-amino-5-(2-phenylethynyl)-4-pyrimidinyl]amino]phenol IUPAC Name: 4-[[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]amino]phenol Traditional Name: 4-[[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]amino]phenol Formula: C18H14N4O MolecularWeight: 302.32996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O/c19-18-20-12-14(7-6-13-4-2-1-3-5-13)17(22-18)21-15-8-10-16(23)11-9-15/h1-5,8-12,23H,(H3,19,20,21,22)