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

Systemtic Name: 8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-chlorophenyl)vinyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(3-chlorophenyl)vinyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C19H21ClN4O2 MolecularWeight: 372.84864

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(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O2/c1-3-10-23-17-16(18(25)24(11-4-2)19(23)26)21-15(22-17)9-8-13-6-5-7-14(20)12-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,22)/b9-8+