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

Systemtic Name: 1,3-dimethyl-8-(4-prop-2-enoxyphenyl)-7H-purine-2,6-dione Openeye Name: 8-(4-allyloxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-prop-2-enoxyphenyl)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-prop-2-enoxyphenyl)-7H-purine-2,6-dione Traditional Name: 8-(4-allyloxyphenyl)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C16H16N4O3 MolecularWeight: 312.32324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O3/c1-4-9-23-11-7-5-10(6-8-11)13-17-12-14(18-13)19(2)16(22)20(3)15(12)21/h4-8H,1,9H2,2-3H3,(H,17,18)