8-[(E)-2-(1H-imidazol-5-yl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(1H-imidazol-5-yl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(1H-imidazol-5-yl)vinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[(E)-2-(1H-imidazol-5-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(1H-imidazol-5-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[(E)-2-(1H-imidazol-5-yl)vinyl]-7-methyl-1,3-dipropyl-xanthine Formula: C17H22N6O2 MolecularWeight: 342.39558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=CN=CN3)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CN=CN3)C

InChI

InChI=1S/C17H22N6O2/c1-4-8-22-15-14(16(24)23(9-5-2)17(22)25)21(3)13(20-15)7-6-12-10-18-11-19-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19)/b7-6+