8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-methyl-1-prop-2-ynyl-7H-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-methyl-1-prop-2-ynyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-3-methyl-1-prop-2-ynyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-methyl-1-prop-2-ynyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-methyl-1-prop-2-ynyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-3-methyl-1-propargyl-7H-purine-2,6-quinone Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC#C)NC(=N2)C=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC#C)NC(=N2)/C=C/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H18N4O4/c1-5-10-23-18(24)16-17(22(2)19(23)25)21-15(20-16)9-7-12-6-8-13(26-3)14(11-12)27-4/h1,6-9,11H,10H2,2-4H3,(H,20,21)/b9-7+