8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-(furan-2-ylmethyl)-7-methyl-1-prop-2-ynyl-purine-2,6-dione

Systemtic Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-(furan-2-ylmethyl)-7-methyl-1-prop-2-ynyl-purine-2,6-dione Openeye Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-(2-furylmethyl)-7-methyl-1-prop-2-ynyl-purine-2,6-dione CAS Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-(2-furanylmethyl)-7-methyl-1-prop-2-ynylpurine-2,6-dione IUPAC Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-(furan-2-ylmethyl)-7-methyl-1-prop-2-ynylpurine-2,6-dione Traditional Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-(2-furfuryl)-7-methyl-1-propargyl-xanthine Formula: C24H20N4O5 MolecularWeight: 444.4394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2CC3=CC=CO3)CC#C)C#CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2CC3=CC=CO3)CC#C)C#CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H20N4O5/c1-5-12-27-23(29)21-22(28(24(27)30)15-17-7-6-13-33-17)25-20(26(21)2)11-9-16-8-10-18(31-3)19(14-16)32-4/h1,6-8,10,13-14H,12,15H2,2-4H3