8-[methoxy(phenyl)methyl]-1,3-dimethyl-7-prop-2-ynyl-purine-2,6-dione

Systemtic Name: 8-[methoxy(phenyl)methyl]-1,3-dimethyl-7-prop-2-ynyl-purine-2,6-dione Openeye Name: 8-[methoxy(phenyl)methyl]-1,3-dimethyl-7-prop-2-ynyl-purine-2,6-dione CAS Name: 8-[methoxy(phenyl)methyl]-1,3-dimethyl-7-prop-2-ynylpurine-2,6-dione IUPAC Name: 8-[methoxy(phenyl)methyl]-1,3-dimethyl-7-prop-2-ynylpurine-2,6-dione Traditional Name: 8-[methoxy(phenyl)methyl]-1,3-dimethyl-7-propargyl-xanthine Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C(C3=CC=CC=C3)OC)CC#C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C(C3=CC=CC=C3)OC)CC#C

InChI

InChI=1S/C18H18N4O3/c1-5-11-22-13-15(20(2)18(24)21(3)17(13)23)19-16(22)14(25-4)12-9-7-6-8-10-12/h1,6-10,14H,11H2,2-4H3