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

Systemtic Name: 6-azanyl-2-(chloromethyl)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(chloromethyl)-7H-purin-8-one CAS Name: 6-amino-2-(chloromethyl)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(chloromethyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(chloromethyl)-7H-purin-8-one Formula: C13H12ClN5O MolecularWeight: 289.72028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)CCl)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)CCl)N)NC2=O

InChI

InChI=1S/C13H12ClN5O/c14-6-9-16-11(15)10-12(17-9)19(13(20)18-10)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,18,20)(H2,15,16,17)