2-[(3-chlorophenyl)methyl]-4,7-dimethyl-6-propyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2-[(3-chlorophenyl)methyl]-4,7-dimethyl-6-propyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-[(3-chlorophenyl)methyl]-4,7-dimethyl-6-propyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-[(3-chlorophenyl)methyl]-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-[(3-chlorophenyl)methyl]-4,7-dimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-(3-chlorobenzyl)-4,7-dimethyl-6-propyl-purin[7,8-a]imidazole-1,3-quinone Formula: C19H20ClN5O2 MolecularWeight: 385.8474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC4=CC(=CC=C4)Cl)C

Isomeric SMILES

CCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C19H20ClN5O2/c1-4-8-23-12(2)10-24-15-16(21-18(23)24)22(3)19(27)25(17(15)26)11-13-6-5-7-14(20)9-13/h5-7,9-10H,4,8,11H2,1-3H3