2,4-dimethyl-6-(4-oxidanylbutyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2,4-dimethyl-6-(4-oxidanylbutyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-hydroxybutyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-hydroxybutyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-hydroxybutyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-hydroxybutyl)-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C19H21N5O3 MolecularWeight: 367.40174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCCCO)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCCCO)C4=CC=CC=C4

InChI

InChI=1S/C19H21N5O3/c1-21-16-15(17(26)22(2)19(21)27)24-12-14(13-8-4-3-5-9-13)23(18(24)20-16)10-6-7-11-25/h3-5,8-9,12,25H,6-7,10-11H2,1-2H3