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

Systemtic Name: 1,3-dimethyl-8-(4-propoxyphenyl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-propoxyphenyl)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-propoxyphenyl)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-propoxyphenyl)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-propoxyphenyl)-7H-purine-2,6-quinone Formula: C16H18N4O3 MolecularWeight: 314.33912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H18N4O3/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/h5-8H,4,9H2,1-3H3,(H,17,18)