2-chloranyl-1-ethyl-7-(phenylmethyl)purin-6-one

Systemtic Name: 2-chloranyl-1-ethyl-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-chloro-1-ethyl-purin-6-one CAS Name: 2-chloro-1-ethyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-chloro-1-ethylpurin-6-one Traditional Name: 7-benzyl-2-chloro-1-ethyl-purin-6-one Formula: C14H13ClN4O MolecularWeight: 288.73222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N=C1Cl

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N=C1Cl

InChI

InChI=1S/C14H13ClN4O/c1-2-19-13(20)11-12(17-14(19)15)16-9-18(11)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3