8-[(E)-2-[3-methoxy-4-(methoxymethoxy)phenyl]ethenyl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[(E)-2-[3-methoxy-4-(methoxymethoxy)phenyl]ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-[3-methoxy-4-(methoxymethoxy)phenyl]vinyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-[3-methoxy-4-(methoxymethoxy)phenyl]ethenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-[3-methoxy-4-(methoxymethoxy)phenyl]ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-[3-methoxy-4-(methoxymethoxy)phenyl]vinyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C=CC3=CC(=C(C=C3)OCOC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5/c1-5-11-25-20-19(21(27)26(12-6-2)22(25)28)23-18(24-20)10-8-15-7-9-16(31-14-29-3)17(13-15)30-4/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,23,24)/b10-8+