6-butyl-2,4,8-trimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-butyl-2,4,8-trimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-butyl-2,4,8-trimethyl-7-(p-tolyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-butyl-2,4,8-trimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-butyl-2,4,8-trimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-butyl-2,4,8-trimethyl-7-(p-tolyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O2 MolecularWeight: 379.4555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)C)C)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)C)C)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H25N5O2/c1-6-7-12-25-16(15-10-8-13(2)9-11-15)14(3)26-17-18(22-20(25)26)23(4)21(28)24(5)19(17)27/h8-11H,6-7,12H2,1-5H3