7-(2-hydroxyethyl)-3-methyl-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-hydroxyethyl)-3-methyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-3-methyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione Traditional Name: 1-benzyl-7-(2-hydroxyethyl)-3-methyl-xanthine Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C=N2)CCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C=N2)CCO

InChI

InChI=1S/C15H16N4O3/c1-17-13-12(18(7-8-20)10-16-13)14(21)19(15(17)22)9-11-5-3-2-4-6-11/h2-6,10,20H,7-9H2,1H3