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

Systemtic Name: 2-azanyl-6-chloranyl-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 2-amino-9-benzyl-6-chloro-7H-purin-8-one CAS Name: 2-amino-6-chloro-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 2-amino-9-benzyl-6-chloro-7H-purin-8-one Traditional Name: 2-amino-9-benzyl-6-chloro-7H-purin-8-one Formula: C12H10ClN5O MolecularWeight: 275.6937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN5O/c13-9-8-10(17-11(14)16-9)18(12(19)15-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,15,19)(H2,14,16,17)