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

Systemtic Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-(2-dimethylaminoethyl)-7-methyl-1-prop-2-ynyl-purine-2,6-dione Openeye Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-(2-dimethylaminoethyl)-7-methyl-1-prop-2-ynyl-purine-2,6-dione CAS Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-(2-dimethylaminoethyl)-7-methyl-1-prop-2-ynylpurine-2,6-dione IUPAC Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-(2-dimethylaminoethyl)-7-methyl-1-prop-2-ynylpurine-2,6-dione Traditional Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-(2-dimethylaminoethyl)-7-methyl-1-propargyl-xanthine Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2CCN(C)C)CC#C)C#CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2CCN(C)C)CC#C)C#CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H25N5O4/c1-7-12-28-22(29)20-21(27(23(28)30)14-13-25(2)3)24-19(26(20)4)11-9-16-8-10-17(31-5)18(15-16)32-6/h1,8,10,15H,12-14H2,2-6H3