1,3-dimethyl-5-oxidanyl-9-(phenylmethyl)purino[7,8-a]pyrimidin-5-ium-2,4,8-trione

Systemtic Name: 1,3-dimethyl-5-oxidanyl-9-(phenylmethyl)purino[7,8-a]pyrimidin-5-ium-2,4,8-trione Openeye Name: 9-benzyl-5-hydroxy-1,3-dimethyl-purino[7,8-a]pyrimidin-5-ium-2,4,8-trione CAS Name: 5-hydroxy-1,3-dimethyl-9-(phenylmethyl)purino[7,8-a]pyrimidin-5-ium-2,4,8-trione IUPAC Name: 9-benzyl-5-hydroxy-1,3-dimethylpurino[7,8-a]pyrimidin-5-ium-2,4,8-trione Traditional Name: 9-benzyl-5-hydroxy-1,3-dimethyl-purino[7,8-a]pyrimidin-5-ium-2,4,8-trione Formula: C17H16N5O4+ MolecularWeight: 354.34004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+]3(C=CC(=O)N(C3=N2)CC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+]3(C=CC(=O)N(C3=N2)CC4=CC=CC=C4)O

InChI

InChI=1S/C17H16N5O4/c1-19-14-13(15(24)20(2)17(19)25)22(26)9-8-12(23)21(16(22)18-14)10-11-6-4-3-5-7-11/h3-9,26H,10H2,1-2H3/q+1