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

Systemtic Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-7-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)purine-2,6-dione Openeye Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-7-methyl-1-prop-2-ynyl-3-(3-thienylmethyl)purine-2,6-dione CAS Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-7-methyl-1-prop-2-ynyl-3-(3-thiophenylmethyl)purine-2,6-dione IUPAC Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-7-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)purine-2,6-dione Traditional Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-7-methyl-1-propargyl-3-(3-thenyl)xanthine Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2CC3=CSC=C3)CC#C)C#CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2CC3=CSC=C3)CC#C)C#CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H20N4O4S/c1-5-11-27-23(29)21-22(28(24(27)30)14-17-10-12-33-15-17)25-20(26(21)2)9-7-16-6-8-18(31-3)19(13-16)32-4/h1,6,8,10,12-13,15H,11,14H2,2-4H3