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

Systemtic Name: 2-butyl-4,7,8-trimethyl-6-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-butyl-4,7,8-trimethyl-6-(p-tolyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2-butyl-4,7,8-trimethyl-6-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-butyl-4,7,8-trimethyl-6-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-butyl-4,7,8-trimethyl-6-(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(=O)C2=C(N=C3N2C(=C(N3C4=CC=C(C=C4)C)C)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC=C(C=C4)C)C)C)N(C1=O)C

InChI

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