8-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-(3,4-diethoxybenzyl)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C)OCC

InChI

InChI=1S/C18H22N4O4/c1-5-25-12-8-7-11(9-13(12)26-6-2)10-14-19-15-16(20-14)21(3)18(24)22(4)17(15)23/h7-9H,5-6,10H2,1-4H3,(H,19,20)