1-[2-(2-phenylethynyl)phenyl]-2,3-di(pyrimidin-4-yl)guanidine

Systemtic Name: 1-[2-(2-phenylethynyl)phenyl]-2,3-di(pyrimidin-4-yl)guanidine Openeye Name: 1-[2-(2-phenylethynyl)phenyl]-2,3-di(pyrimidin-4-yl)guanidine CAS Name: 1-[2-(2-phenylethynyl)phenyl]-2,3-bis(4-pyrimidinyl)guanidine IUPAC Name: 1-[2-(2-phenylethynyl)phenyl]-2,3-di(pyrimidin-4-yl)guanidine Traditional Name: 1-[2-(2-phenylethynyl)phenyl]-2,3-bis(4-pyrimidyl)guanidine Formula: C23H17N7 MolecularWeight: 391.42798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=CC=C2NC(=NC3=NC=NC=C3)NC4=NC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=CC=C2NC(=NC3=NC=NC=C3)NC4=NC=NC=C4

InChI

InChI=1S/C23H17N7/c1-2-6-18(7-3-1)10-11-19-8-4-5-9-20(19)28-23(29-21-12-14-24-16-26-21)30-22-13-15-25-17-27-22/h1-9,12-17H,(H2,24,25,26,27,28,29,30)