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

Systemtic Name: 2-azanyl-3,7-bis(naphthalen-2-ylmethyl)purin-6-one Openeye Name: 2-amino-3,7-bis(2-naphthylmethyl)purin-6-one CAS Name: 2-amino-3,7-bis(2-naphthalenylmethyl)-6-purinone IUPAC Name: 2-amino-3,7-bis(naphthalen-2-ylmethyl)purin-6-one Traditional Name: 2-amino-3,7-bis(2-naphthylmethyl)purin-6-one Formula: C27H21N5O MolecularWeight: 431.48854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN3C=NC4=C3C(=O)N=C(N4CC5=CC6=CC=CC=C6C=C5)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C=NC4=C3C(=O)N=C(N4CC5=CC6=CC=CC=C6C=C5)N

InChI

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