8-(furan-2-ylmethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-(furan-2-ylmethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(2-furylmethylamino)-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-3-methyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(furan-2-ylmethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(2-furfurylamino)-3-methyl-7-(1-naphthylmethyl)xanthine Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H19N5O3/c1-26-19-18(20(28)25-22(26)29)27(21(24-19)23-12-16-9-5-11-30-16)13-15-8-4-7-14-6-2-3-10-17(14)15/h2-11H,12-13H2,1H3,(H,23,24)(H,25,28,29)