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

Systemtic Name: 7,9-dimethyl-7,8-bis(oxidanyl)-3-prop-2-enyl-8H-pyrimido[2,1-f]purine-9-carboxylic acid Openeye Name: 3-allyl-7,8-dihydroxy-7,9-dimethyl-8H-pyrimido[2,1-f]purine-9-carboxylic acid CAS Name: 7,8-dihydroxy-7,9-dimethyl-3-prop-2-enyl-8H-pyrimido[2,1-f]purine-9-carboxylic acid IUPAC Name: 7,8-dihydroxy-7,9-dimethyl-3-prop-2-enyl-8H-pyrimido[2,1-f]purine-9-carboxylic acid Traditional Name: 3-allyl-7,8-dihydroxy-7,9-dimethyl-8H-pyrimido[2,1-f]purine-9-carboxylic acid Formula: C14H17N5O4 MolecularWeight: 319.31588

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(N2C=NC3=C(C2=N1)N=CN3CC=C)(C)O)O)C(=O)O

Isomeric SMILES

CC1(C(C(N2C=NC3=C(C2=N1)N=CN3CC=C)(C)O)O)C(=O)O

InChI

InChI=1S/C14H17N5O4/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/h4,6-7,11,20,23H,1,5H2,2-3H3,(H,21,22)