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

Systemtic Name: 3-(2-hydroxyethyl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-1-prop-2-ynyl-7H-purine-2,6-dione Openeye Name: 3-(2-hydroxyethyl)-8-[(E)-2-(3-methoxyphenyl)vinyl]-1-prop-2-ynyl-7H-purine-2,6-dione CAS Name: 3-(2-hydroxyethyl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-1-prop-2-ynyl-7H-purine-2,6-dione IUPAC Name: 3-(2-hydroxyethyl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-1-prop-2-ynyl-7H-purine-2,6-dione Traditional Name: 3-(2-hydroxyethyl)-8-[(E)-2-(3-methoxyphenyl)vinyl]-1-propargyl-7H-purine-2,6-quinone Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=CC2=NC3=C(N2)C(=O)N(C(=O)N3CCO)CC#C

Isomeric SMILES

COC1=CC=CC(=C1)/C=C/C2=NC3=C(N2)C(=O)N(C(=O)N3CCO)CC#C

InChI

InChI=1S/C19H18N4O4/c1-3-9-23-18(25)16-17(22(10-11-24)19(23)26)21-15(20-16)8-7-13-5-4-6-14(12-13)27-2/h1,4-8,12,24H,9-11H2,2H3,(H,20,21)/b8-7+