3,7-dimethyl-8-naphthalen-2-yl-1-prop-2-ynyl-purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-naphthalen-2-yl-1-prop-2-ynyl-purine-2,6-dione Openeye Name: 3,7-dimethyl-8-(2-naphthyl)-1-prop-2-ynyl-purine-2,6-dione CAS Name: 3,7-dimethyl-8-(2-naphthalenyl)-1-prop-2-ynylpurine-2,6-dione IUPAC Name: 3,7-dimethyl-8-naphthalen-2-yl-1-prop-2-ynylpurine-2,6-dione Traditional Name: 3,7-dimethyl-8-(2-naphthyl)-1-propargyl-xanthine Formula: C20H16N4O2 MolecularWeight: 344.36664

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC4=CC=CC=C4C=C3)N(C(=O)N(C2=O)CC#C)C

Isomeric SMILES

CN1C2=C(N=C1C3=CC4=CC=CC=C4C=C3)N(C(=O)N(C2=O)CC#C)C

InChI

InChI=1S/C20H16N4O2/c1-4-11-24-19(25)16-18(23(3)20(24)26)21-17(22(16)2)15-10-9-13-7-5-6-8-14(13)12-15/h1,5-10,12H,11H2,2-3H3