8-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(3,4-dichlorophenyl)vinyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(3,4-dichlorophenyl)vinyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C19H20Cl2N4O2 MolecularWeight: 407.2937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20Cl2N4O2/c1-3-9-24-17-16(18(26)25(10-4-2)19(24)27)22-15(23-17)8-6-12-5-7-13(20)14(21)11-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,22,23)/b8-6+