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

Systemtic Name: 8-[(E)-2-(3-methoxyphenyl)ethenyl]-3-methyl-1-prop-2-ynyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-methoxyphenyl)vinyl]-3-methyl-1-prop-2-ynyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(3-methoxyphenyl)ethenyl]-3-methyl-1-prop-2-ynyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(3-methoxyphenyl)ethenyl]-3-methyl-1-prop-2-ynyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(3-methoxyphenyl)vinyl]-3-methyl-1-propargyl-7H-purine-2,6-quinone Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3/c1-4-10-22-17(23)15-16(21(2)18(22)24)20-14(19-15)9-8-12-6-5-7-13(11-12)25-3/h1,5-9,11H,10H2,2-3H3,(H,19,20)/b9-8+