2-(phenylmethyl)-1,4,5,7-tetrahydropurin-6-one

Systemtic Name: 2-(phenylmethyl)-1,4,5,7-tetrahydropurin-6-one Openeye Name: 2-benzyl-1,4,5,7-tetrahydropurin-6-one CAS Name: 2-(phenylmethyl)-1,4,5,7-tetrahydropurin-6-one IUPAC Name: 2-benzyl-1,4,5,7-tetrahydropurin-6-one Traditional Name: 2-benzyl-1,4,5,7-tetrahydropurin-6-one Formula: C12H12N4O MolecularWeight: 228.24988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3C(C(=O)N2)NC=N3

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3C(C(=O)N2)NC=N3

InChI

InChI=1S/C12H12N4O/c17-12-10-11(14-7-13-10)15-9(16-12)6-8-4-2-1-3-5-8/h1-5,7,10-11H,6H2,(H,13,14)(H,15,16,17)