7-(2-hydroxyethyl)-3-methyl-8-(phenethylamino)purine-2,6-dione

Systemtic Name: 7-(2-hydroxyethyl)-3-methyl-8-(phenethylamino)purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-3-methyl-8-(phenethylamino)purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-3-methyl-8-(phenethylamino)purine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-3-methyl-8-(phenethylamino)purine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-3-methyl-8-(phenethylamino)xanthine Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CCO

InChI

InChI=1S/C16H19N5O3/c1-20-13-12(14(23)19-16(20)24)21(9-10-22)15(18-13)17-8-7-11-5-3-2-4-6-11/h2-6,22H,7-10H2,1H3,(H,17,18)(H,19,23,24)