1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-prop-2-enoxy-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-prop-2-enoxy-purine-2,6-dione Openeye Name: 8-allyloxy-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-naphthalenylmethyl)-8-prop-2-enoxypurine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-prop-2-enoxypurine-2,6-dione Traditional Name: 8-allyloxy-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC=C)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC=C)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H20N4O3/c1-4-12-28-20-22-18-17(19(26)24(3)21(27)23(18)2)25(20)13-15-10-7-9-14-8-5-6-11-16(14)15/h4-11H,1,12-13H2,2-3H3