3-methyl-8-[(E)-2-phenylethenyl]-1-propyl-7H-purine-2,6-dione

Systemtic Name: 3-methyl-8-[(E)-2-phenylethenyl]-1-propyl-7H-purine-2,6-dione Openeye Name: 3-methyl-1-propyl-8-[(E)-styryl]-7H-purine-2,6-dione CAS Name: 3-methyl-8-[(E)-2-phenylethenyl]-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-methyl-8-[(E)-2-phenylethenyl]-1-propyl-7H-purine-2,6-dione Traditional Name: 3-methyl-1-propyl-8-[(E)-styryl]-7H-purine-2,6-quinone Formula: C17H18N4O2 MolecularWeight: 310.35042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C=CC3=CC=CC=C3)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)/C=C/C3=CC=CC=C3)N(C1=O)C

InChI

InChI=1S/C17H18N4O2/c1-3-11-21-16(22)14-15(20(2)17(21)23)19-13(18-14)10-9-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,18,19)/b10-9+