8-(3-methoxy-4-prop-2-enoxy-phenyl)-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-(3-methoxy-4-prop-2-enoxy-phenyl)-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-(4-allyloxy-3-methoxy-phenyl)-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-(4-allyloxy-3-methoxy-phenyl)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4/c1-5-8-25-11-7-6-10(9-12(11)24-4)14-18-13-15(19-14)20(2)17(23)21(3)16(13)22/h5-7,9H,1,8H2,2-4H3,(H,18,19)