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

Systemtic Name: sodium 7-cyclohex-2-en-1-yl-1,3-dimethyl-8-oxidanyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: sodium 9-benzyl-7-cyclohex-2-en-1-yl-8-hydroxy-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: sodium 7-(1-cyclohex-2-enyl)-8-hydroxy-1,3-dimethyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: sodium 9-benzyl-7-cyclohex-2-en-1-yl-8-hydroxy-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: sodium 9-benzyl-7-cyclohex-2-en-1-yl-8-hydroxy-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C23H23N5NaO4+ MolecularWeight: 456.44959

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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)C5CCCC=C5.[Na+]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C(=O)C(=C(N(C3=N2)CC4=CC=CC=C4)O)C5CCCC=C5.[Na+]

InChI

InChI=1S/C23H23N5O4.Na/c1-25-18-17(21(31)26(2)23(25)32)28-20(30)16(15-11-7-4-8-12-15)19(29)27(22(28)24-18)13-14-9-5-3-6-10-14;/h3,5-7,9-11,15,29H,4,8,12-13H2,1-2H3;/q;+1