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

Systemtic Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C20H21N5O3/c1-23-17-16(18(27)24(2)20(23)28)25(19(22-17)21-10-11-26)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,26H,10-12H2,1-2H3,(H,21,22)