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

Systemtic Name: 7,9-dimethyl-7,8-bis(oxidanyl)-3-propyl-8H-pyrimido[2,1-f]purine-9-carboxylic acid Openeye Name: 7,8-dihydroxy-7,9-dimethyl-3-propyl-8H-pyrimido[2,1-f]purine-9-carboxylic acid CAS Name: 7,8-dihydroxy-7,9-dimethyl-3-propyl-8H-pyrimido[2,1-f]purine-9-carboxylic acid IUPAC Name: 7,8-dihydroxy-7,9-dimethyl-3-propyl-8H-pyrimido[2,1-f]purine-9-carboxylic acid Traditional Name: 7,8-dihydroxy-7,9-dimethyl-3-propyl-8H-pyrimido[2,1-f]purine-9-carboxylic acid Formula: C14H19N5O4 MolecularWeight: 321.33176

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1N=CN3C2=NC(C(C3(C)O)O)(C)C(=O)O

Isomeric SMILES

CCCN1C=NC2=C1N=CN3C2=NC(C(C3(C)O)O)(C)C(=O)O

InChI

InChI=1S/C14H19N5O4/c1-4-5-18-6-15-8-9(18)16-7-19-10(8)17-13(2,12(21)22)11(20)14(19,3)23/h6-7,11,20,23H,4-5H2,1-3H3,(H,21,22)