8-[4-methoxy-3,5-bis(oxidanyl)phenyl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[4-methoxy-3,5-bis(oxidanyl)phenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(3,5-dihydroxy-4-methoxy-phenyl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(3,5-dihydroxy-4-methoxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(3,5-dihydroxy-4-methoxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(3,5-dihydroxy-4-methoxy-phenyl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC(=C(C(=C3)O)OC)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC(=C(C(=C3)O)OC)O

InChI

InChI=1S/C18H22N4O5/c1-4-6-21-16-13(17(25)22(7-5-2)18(21)26)19-15(20-16)10-8-11(23)14(27-3)12(24)9-10/h8-9,23-24H,4-7H2,1-3H3,(H,19,20)