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

Systemtic Name: 6-azanyl-2-pentyl-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-pentyl-7H-purin-8-one CAS Name: 6-amino-2-pentyl-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-pentyl-7H-purin-8-one Traditional Name: 6-amino-2-amyl-9-benzyl-7H-purin-8-one Formula: C17H21N5O MolecularWeight: 311.38154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CCCCCC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C17H21N5O/c1-2-3-5-10-13-19-15(18)14-16(20-13)22(17(23)21-14)11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3,(H,21,23)(H2,18,19,20)