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

Systemtic Name: 6-azanyl-2-(butylamino)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(butylamino)-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(butylamino)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(butylamino)-7H-purin-8-one Formula: C16H20N6O MolecularWeight: 312.3696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C16H20N6O/c1-2-3-9-18-15-20-13(17)12-14(21-15)22(16(23)19-12)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,19,23)(H3,17,18,20,21)