8-(2-hydroxyethylamino)-3-methyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylamino)-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-(2-hydroxyethylamino)-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylamino)-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylamino)-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylamino)-3-methyl-7-phenethyl-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)NCCO)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCO)CCC3=CC=CC=C3

InChI

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