8-[2-[4-[2-(6-azanyl-7H-purin-8-yl)ethynyl]phenyl]ethynyl]-7H-purin-6-amine

Systemtic Name: 8-[2-[4-[2-(6-azanyl-7H-purin-8-yl)ethynyl]phenyl]ethynyl]-7H-purin-6-amine Openeye Name: 8-[2-[4-[2-(6-amino-7H-purin-8-yl)ethynyl]phenyl]ethynyl]-7H-purin-6-amine CAS Name: 8-[2-[4-[2-(6-amino-7H-purin-8-yl)ethynyl]phenyl]ethynyl]-7H-purin-6-amine IUPAC Name: 8-[2-[4-[2-(6-amino-7H-purin-8-yl)ethynyl]phenyl]ethynyl]-7H-purin-6-amine Traditional Name: [8-[2-[4-[2-(6-amino-7H-purin-8-yl)ethynyl]phenyl]ethynyl]-7H-purin-6-yl]amine Formula: C20H12N10 MolecularWeight: 392.37628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=NC3=C(N2)C(=NC=N3)N)C#CC4=NC5=C(N4)C(=NC=N5)N

Isomeric SMILES

C1=CC(=CC=C1C#CC2=NC3=C(N2)C(=NC=N3)N)C#CC4=NC5=C(N4)C(=NC=N5)N

InChI

InChI=1S/C20H12N10/c21-17-15-19(25-9-23-17)29-13(27-15)7-5-11-1-2-12(4-3-11)6-8-14-28-16-18(22)24-10-26-20(16)30-14/h1-4,9-10H,(H3,21,23,25,27,29)(H3,22,24,26,28,30)