1,3-dimethyl-7-[3-(naphthalen-1-ylamino)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-(naphthalen-1-ylamino)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(1-naphthylamino)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(1-naphthalenylamino)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(naphthalen-1-ylamino)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(1-naphthylamino)propyl]-1,3-dimethyl-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)CC(CNC3=CC=CC4=CC=CC=C43)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CNC3=CC=CC4=CC=CC=C43)O

InChI

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