sodium 1,3-dimethyl-8-oxidanyl-9-pentyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione

Systemtic Name: sodium 1,3-dimethyl-8-oxidanyl-9-pentyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: sodium 8-hydroxy-1,3-dimethyl-9-pentyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: sodium 8-hydroxy-1,3-dimethyl-9-pentyl-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: sodium 8-hydroxy-1,3-dimethyl-9-pentyl-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: sodium 9-amyl-8-hydroxy-1,3-dimethyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C18H25N5NaO4+ MolecularWeight: 398.41197

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C(=O)N2C1=NC3=C2C(=O)N(C(=O)N3C)C)CCC)O.[Na+]

Isomeric SMILES

CCCCCN1C(=C(C(=O)N2C1=NC3=C2C(=O)N(C(=O)N3C)C)CCC)O.[Na+]

InChI

InChI=1S/C18H25N5O4.Na/c1-5-7-8-10-22-14(24)11(9-6-2)15(25)23-12-13(19-17(22)23)20(3)18(27)21(4)16(12)26;/h24H,5-10H2,1-4H3;/q;+1