N-[5-(2-phenylethynyl)pyrimidin-4-yl]-1-(phenylmethyl)indol-5-amine

Systemtic Name: N-[5-(2-phenylethynyl)pyrimidin-4-yl]-1-(phenylmethyl)indol-5-amine Openeye Name: 1-benzyl-N-[5-(2-phenylethynyl)pyrimidin-4-yl]indol-5-amine CAS Name: N-[5-(2-phenylethynyl)-4-pyrimidinyl]-1-(phenylmethyl)-5-indolamine IUPAC Name: 1-benzyl-N-[5-(2-phenylethynyl)pyrimidin-4-yl]indol-5-amine Traditional Name: (1-benzylindol-5-yl)-[5-(2-phenylethynyl)pyrimidin-4-yl]amine Formula: C27H20N4 MolecularWeight: 400.4745

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)NC4=NC=NC=C4C#CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)NC4=NC=NC=C4C#CC5=CC=CC=C5

InChI

InChI=1S/C27H20N4/c1-3-7-21(8-4-1)11-12-24-18-28-20-29-27(24)30-25-13-14-26-23(17-25)15-16-31(26)19-22-9-5-2-6-10-22/h1-10,13-18,20H,19H2,(H,28,29,30)