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

Systemtic Name: 8-[2-[3-(2-hydroxyethyloxy)phenyl]ethynyl]-3,7-dimethyl-1-prop-2-ynyl-purine-2,6-dione Openeye Name: 8-[2-[3-(2-hydroxyethoxy)phenyl]ethynyl]-3,7-dimethyl-1-prop-2-ynyl-purine-2,6-dione CAS Name: 8-[2-[3-(2-hydroxyethoxy)phenyl]ethynyl]-3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione IUPAC Name: 8-[2-[3-(2-hydroxyethoxy)phenyl]ethynyl]-3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione Traditional Name: 8-[2-[3-(2-hydroxyethoxy)phenyl]ethynyl]-3,7-dimethyl-1-propargyl-xanthine Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)CC#C)C#CC3=CC(=CC=C3)OCCO

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)CC#C)C#CC3=CC(=CC=C3)OCCO

InChI

InChI=1S/C20H18N4O4/c1-4-10-24-19(26)17-18(23(3)20(24)27)21-16(22(17)2)9-8-14-6-5-7-15(13-14)28-12-11-25/h1,5-7,13,25H,10-12H2,2-3H3