1-oxidanyl-7-(phenylmethyl)-3H-purine-2,6-dione

Systemtic Name: 1-oxidanyl-7-(phenylmethyl)-3H-purine-2,6-dione Openeye Name: 7-benzyl-1-hydroxy-3H-purine-2,6-dione CAS Name: 1-hydroxy-7-(phenylmethyl)-3H-purine-2,6-dione IUPAC Name: 7-benzyl-1-hydroxy-3H-purine-2,6-dione Traditional Name: 7-benzyl-1-hydroxy-xanthine Formula: C12H10N4O3 MolecularWeight: 258.2328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3)O

InChI

InChI=1S/C12H10N4O3/c17-11-9-10(14-12(18)16(11)19)13-7-15(9)6-8-4-2-1-3-5-8/h1-5,7,19H,6H2,(H,14,18)