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

Systemtic Name: 8-[(E)-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-hydroxy-4-methoxy-phenyl)vinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3-hydroxy-4-methoxy-phenyl)vinyl]-7-methyl-1,3-dipropyl-xanthine Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-5-11-24-19-18(20(27)25(12-6-2)21(24)28)23(3)17(22-19)10-8-14-7-9-16(29-4)15(26)13-14/h7-10,13,26H,5-6,11-12H2,1-4H3/b10-8+