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

Systemtic Name: 3-methyl-8-morpholin-4-yl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 3-methyl-8-morpholino-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 3-methyl-8-(4-morpholinyl)-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 3-methyl-8-morpholin-4-yl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 3-methyl-8-morpholino-7-(1-naphthylmethyl)xanthine Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C21H21N5O3/c1-24-18-17(19(27)23-21(24)28)26(20(22-18)25-9-11-29-12-10-25)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3,(H,23,27,28)