6-phenylmethoxy-8-pyren-1-yl-7H-purin-2-amine

Systemtic Name: 6-phenylmethoxy-8-pyren-1-yl-7H-purin-2-amine Openeye Name: 6-benzyloxy-8-pyren-1-yl-7H-purin-2-amine CAS Name: 6-phenylmethoxy-8-(1-pyrenyl)-7H-purin-2-amine IUPAC Name: 6-phenylmethoxy-8-pyren-1-yl-7H-purin-2-amine Traditional Name: (6-benzoxy-8-pyren-1-yl-7H-purin-2-yl)amine Formula: C28H19N5O MolecularWeight: 441.48336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NC(=NC3=C2NC(=N3)C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=NC(=NC3=C2NC(=N3)C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)N

InChI

InChI=1S/C28H19N5O/c29-28-32-26-24(27(33-28)34-15-16-5-2-1-3-6-16)30-25(31-26)21-14-12-19-10-9-17-7-4-8-18-11-13-20(21)23(19)22(17)18/h1-14H,15H2,(H3,29,30,31,32,33)