8-[(E)-2-(4-methoxyphenyl)ethenyl]-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-[(E)-2-(4-methoxyphenyl)ethenyl]-3,7-dihydropurine-2,6-dione Openeye Name: 8-[(E)-2-(4-methoxyphenyl)vinyl]-3,7-dihydropurine-2,6-dione CAS Name: 8-[(E)-2-(4-methoxyphenyl)ethenyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[(E)-2-(4-methoxyphenyl)ethenyl]-3,7-dihydropurine-2,6-dione Traditional Name: 8-[(E)-2-(4-methoxyphenyl)vinyl]-7H-xanthine Formula: C14H12N4O3 MolecularWeight: 284.27008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC2=NC3=C(N2)C(=O)NC(=O)N3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C2=NC3=C(N2)C(=O)NC(=O)N3

InChI

InChI=1S/C14H12N4O3/c1-21-9-5-2-8(3-6-9)4-7-10-15-11-12(16-10)17-14(20)18-13(11)19/h2-7H,1H3,(H3,15,16,17,18,19,20)/b7-4+