6-azanyl-2-(butylamino)-9-(naphthalen-1-ylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(butylamino)-9-(naphthalen-1-ylmethyl)-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-(1-naphthylmethyl)-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-(1-naphthalenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-(naphthalen-1-ylmethyl)-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-(1-naphthylmethyl)-7H-purin-8-one Formula: C20H22N6O MolecularWeight: 362.42828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C20H22N6O/c1-2-3-11-22-19-24-17(21)16-18(25-19)26(20(27)23-16)12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,2-3,11-12H2,1H3,(H,23,27)(H3,21,22,24,25)