6-azanyl-2-(hexylamino)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(hexylamino)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(hexylamino)-7H-purin-8-one CAS Name: 6-amino-2-(hexylamino)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(hexylamino)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(hexylamino)-7H-purin-8-one Formula: C18H24N6O MolecularWeight: 340.42276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CCCCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C18H24N6O/c1-2-3-4-8-11-20-17-22-15(19)14-16(23-17)24(18(25)21-14)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3,(H,21,25)(H3,19,20,22,23)