8-(2-hydroxyethylamino)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-(2-hydroxyethylamino)-1,3-dimethyl-xanthine Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O3/c1-19-13-12(14(23)20(2)16(19)24)21(15(18-13)17-8-9-22)10-11-6-4-3-5-7-11/h3-7,22H,8-10H2,1-2H3,(H,17,18)