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

Systemtic Name: 6-(4-chlorophenyl)-4-methyl-2-(3-oxidanylpropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-chlorophenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-chlorophenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-chlorophenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-chlorophenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C23H20ClN5O3 MolecularWeight: 449.8896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCO)N3C=C(N(C3=N2)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCO)N3C=C(N(C3=N2)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C23H20ClN5O3/c1-26-20-19(21(31)27(23(26)32)12-5-13-30)28-14-18(15-6-3-2-4-7-15)29(22(28)25-20)17-10-8-16(24)9-11-17/h2-4,6-11,14,30H,5,12-13H2,1H3