2-azanyl-7,9-bis(naphthalen-2-ylmethyl)-3H-purin-9-ium-6-one

Systemtic Name: 2-azanyl-7,9-bis(naphthalen-2-ylmethyl)-3H-purin-9-ium-6-one Openeye Name: 2-amino-7,9-bis(2-naphthylmethyl)-3H-purin-9-ium-6-one CAS Name: 2-amino-7,9-bis(2-naphthalenylmethyl)-3H-purin-9-ium-6-one IUPAC Name: 2-amino-7,9-bis(naphthalen-2-ylmethyl)-3H-purin-9-ium-6-one Traditional Name: 2-amino-7,9-bis(2-naphthylmethyl)-3H-purin-9-ium-6-one Formula: C27H22N5O+ MolecularWeight: 432.49648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN3C=[N+](C4=C3C(=O)N=C(N4)N)CC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C=[N+](C4=C3C(=O)N=C(N4)N)CC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C27H21N5O/c28-27-29-25-24(26(33)30-27)31(15-18-9-11-20-5-1-3-7-22(20)13-18)17-32(25)16-19-10-12-21-6-2-4-8-23(21)14-19/h1-14,17H,15-16H2,(H2-,28,29,30,33)/p+1