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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCOCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCOCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H23N5O3/c1-25-20-19(21(28)24-22(25)29)27(18(23-20)14-26-9-11-30-12-10-26)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8H,9-14H2,1H3,(H,24,28,29)