2-chloranyl-1-methyl-8-(phenylmethyl)-7H-purin-6-one

Systemtic Name: 2-chloranyl-1-methyl-8-(phenylmethyl)-7H-purin-6-one Openeye Name: 8-benzyl-2-chloro-1-methyl-7H-purin-6-one CAS Name: 2-chloro-1-methyl-8-(phenylmethyl)-7H-purin-6-one IUPAC Name: 8-benzyl-2-chloro-1-methyl-7H-purin-6-one Traditional Name: 8-benzyl-2-chloro-1-methyl-7H-purin-6-one Formula: C13H11ClN4O MolecularWeight: 274.70564

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N=C1Cl

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N=C1Cl

InChI

InChI=1S/C13H11ClN4O/c1-18-12(19)10-11(17-13(18)14)16-9(15-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,16)