4,7,8-trimethyl-6-(3-oxidanylpropyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7,8-trimethyl-6-(3-oxidanylpropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-hydroxypropyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-hydroxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-hydroxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-hydroxypropyl)-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1CCCO)N(C(=O)NC3=O)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1CCCO)N(C(=O)NC3=O)C)C

InChI

InChI=1S/C13H17N5O3/c1-7-8(2)18-9-10(16(3)13(21)15-11(9)20)14-12(18)17(7)5-4-6-19/h19H,4-6H2,1-3H3,(H,15,20,21)