3-(2-hydroxyethyl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-1-prop-2-ynyl-purine-2,6-dione

Systemtic Name: 3-(2-hydroxyethyl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-1-prop-2-ynyl-purine-2,6-dione Openeye Name: 3-(2-hydroxyethyl)-8-[(E)-2-(3-methoxyphenyl)vinyl]-7-methyl-1-prop-2-ynyl-purine-2,6-dione CAS Name: 3-(2-hydroxyethyl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-1-prop-2-ynylpurine-2,6-dione IUPAC Name: 3-(2-hydroxyethyl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-1-prop-2-ynylpurine-2,6-dione Traditional Name: 3-(2-hydroxyethyl)-8-[(E)-2-(3-methoxyphenyl)vinyl]-7-methyl-1-propargyl-xanthine Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2CCO)CC#C)C=CC3=CC(=CC=C3)OC

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2CCO)CC#C)/C=C/C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H20N4O4/c1-4-10-24-19(26)17-18(23(11-12-25)20(24)27)21-16(22(17)2)9-8-14-6-5-7-15(13-14)28-3/h1,5-9,13,25H,10-12H2,2-3H3/b9-8+