7-(2-hydroxyethyl)-8-(3-imidazol-1-ylpropylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 7-(2-hydroxyethyl)-8-(3-imidazol-1-ylpropylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-8-(3-imidazol-1-ylpropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-8-[3-(1-imidazolyl)propylamino]-3-methylpurine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-8-(3-imidazol-1-ylpropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-8-(3-imidazol-1-ylpropylamino)-3-methyl-xanthine Formula: C14H19N7O3 MolecularWeight: 333.34576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3C=CN=C3)CCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3C=CN=C3)CCO

InChI

InChI=1S/C14H19N7O3/c1-19-11-10(12(23)18-14(19)24)21(7-8-22)13(17-11)16-3-2-5-20-6-4-15-9-20/h4,6,9,22H,2-3,5,7-8H2,1H3,(H,16,17)(H,18,23,24)