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

Systemtic Name: 8-[2-[3-(2-methoxyethoxy)phenyl]ethynyl]-3,7-dimethyl-1-prop-2-ynyl-purine-2,6-dione Openeye Name: 8-[2-[3-(2-methoxyethoxy)phenyl]ethynyl]-3,7-dimethyl-1-prop-2-ynyl-purine-2,6-dione CAS Name: 8-[2-[3-(2-methoxyethoxy)phenyl]ethynyl]-3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione IUPAC Name: 8-[2-[3-(2-methoxyethoxy)phenyl]ethynyl]-3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione Traditional Name: 8-[2-[3-(2-methoxyethoxy)phenyl]ethynyl]-3,7-dimethyl-1-propargyl-xanthine Formula: C21H20N4O4 MolecularWeight: 392.4079

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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)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4/c1-5-11-25-20(26)18-19(24(3)21(25)27)22-17(23(18)2)10-9-15-7-6-8-16(14-15)29-13-12-28-4/h1,6-8,14H,11-13H2,2-4H3