1,3-dimethyl-8-morpholin-4-yl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-morpholin-4-yl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-morpholino-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-morpholinyl)-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-morpholin-4-yl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-morpholino-7-(1-naphthylmethyl)xanthine Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H23N5O3/c1-24-19-18(20(28)25(2)22(24)29)27(21(23-19)26-10-12-30-13-11-26)14-16-8-5-7-15-6-3-4-9-17(15)16/h3-9H,10-14H2,1-2H3