8-(2-hydroxyethylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(2-hydroxyethylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-p-anisyl-xanthine Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O4/c1-20-14-13(15(24)21(2)17(20)25)22(16(19-14)18-8-9-23)10-11-4-6-12(26-3)7-5-11/h4-7,23H,8-10H2,1-3H3,(H,18,19)