sodium 1,3-dimethyl-8-oxidanyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione

Systemtic Name: sodium 1,3-dimethyl-8-oxidanyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: sodium 9-benzyl-8-hydroxy-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: sodium 8-hydroxy-1,3-dimethyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: sodium 9-benzyl-8-hydroxy-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: sodium 9-benzyl-8-hydroxy-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C17H15N5NaO4+ MolecularWeight: 376.32187

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C(=O)C=C(N(C3=N2)CC4=CC=CC=C4)O.[Na+]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C(=O)C=C(N(C3=N2)CC4=CC=CC=C4)O.[Na+]

InChI

InChI=1S/C17H15N5O4.Na/c1-19-14-13(15(25)20(2)17(19)26)22-12(24)8-11(23)21(16(22)18-14)9-10-6-4-3-5-7-10;/h3-8,23H,9H2,1-2H3;/q;+1