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

Systemtic Name: 6-(3-chloranyl-4-methoxy-phenyl)-4-methyl-2-(3-oxidanylpropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-chloro-4-methoxy-phenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-chloro-4-methoxyphenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chloro-4-methoxyphenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-chloro-4-methoxy-phenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C24H22ClN5O4 MolecularWeight: 479.91558

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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)OC)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)OC)Cl)C5=CC=CC=C5

InChI

InChI=1S/C24H22ClN5O4/c1-27-21-20(22(32)28(24(27)33)11-6-12-31)29-14-18(15-7-4-3-5-8-15)30(23(29)26-21)16-9-10-19(34-2)17(25)13-16/h3-5,7-10,13-14,31H,6,11-12H2,1-2H3