8-[(E)-2-(furan-3-yl)ethenyl]-1,7-dimethyl-3-propyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(furan-3-yl)ethenyl]-1,7-dimethyl-3-propyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-furyl)vinyl]-1,7-dimethyl-3-propyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3-furanyl)ethenyl]-1,7-dimethyl-3-propylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(furan-3-yl)ethenyl]-1,7-dimethyl-3-propylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3-furyl)vinyl]-1,7-dimethyl-3-propyl-xanthine Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C=CC3=COC=C3)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)/C=C/C3=COC=C3)C

InChI

InChI=1S/C16H18N4O3/c1-4-8-20-14-13(15(21)19(3)16(20)22)18(2)12(17-14)6-5-11-7-9-23-10-11/h5-7,9-10H,4,8H2,1-3H3/b6-5+