3-butyl-7,9-dimethyl-7,8-bis(oxidanyl)-8H-pyrimido[2,1-f]purine-9-carboxylic acid

Systemtic Name: 3-butyl-7,9-dimethyl-7,8-bis(oxidanyl)-8H-pyrimido[2,1-f]purine-9-carboxylic acid Openeye Name: 3-butyl-7,8-dihydroxy-7,9-dimethyl-8H-pyrimido[2,1-f]purine-9-carboxylic acid CAS Name: 3-butyl-7,8-dihydroxy-7,9-dimethyl-8H-pyrimido[2,1-f]purine-9-carboxylic acid IUPAC Name: 3-butyl-7,8-dihydroxy-7,9-dimethyl-8H-pyrimido[2,1-f]purine-9-carboxylic acid Traditional Name: 3-butyl-7,8-dihydroxy-7,9-dimethyl-8H-pyrimido[2,1-f]purine-9-carboxylic acid Formula: C15H21N5O4 MolecularWeight: 335.35834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=CN3C2=NC(C(C3(C)O)O)(C)C(=O)O

Isomeric SMILES

CCCCN1C=NC2=C1N=CN3C2=NC(C(C3(C)O)O)(C)C(=O)O

InChI

InChI=1S/C15H21N5O4/c1-4-5-6-19-7-16-9-10(19)17-8-20-11(9)18-14(2,13(22)23)12(21)15(20,3)24/h7-8,12,21,24H,4-6H2,1-3H3,(H,22,23)