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

Systemtic Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-(2-ethoxyethyl)-7-methyl-1-prop-2-ynyl-purine-2,6-dione Openeye Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-(2-ethoxyethyl)-7-methyl-1-prop-2-ynyl-purine-2,6-dione CAS Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-(2-ethoxyethyl)-7-methyl-1-prop-2-ynylpurine-2,6-dione IUPAC Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-(2-ethoxyethyl)-7-methyl-1-prop-2-ynylpurine-2,6-dione Traditional Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-(2-ethoxyethyl)-7-methyl-1-propargyl-xanthine Formula: C23H24N4O5 MolecularWeight: 436.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C(=O)N(C1=O)CC#C)N(C(=N2)C#CC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CCOCCN1C2=C(C(=O)N(C1=O)CC#C)N(C(=N2)C#CC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C23H24N4O5/c1-6-12-27-22(28)20-21(26(23(27)29)13-14-32-7-2)24-19(25(20)3)11-9-16-8-10-17(30-4)18(15-16)31-5/h1,8,10,15H,7,12-14H2,2-5H3