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

Systemtic Name: 6-(3-chloranyl-4-methoxy-phenyl)-4-methyl-2-(2-oxidanylidenepropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-acetonyl-6-(3-chloro-4-methoxy-phenyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-chloro-4-methoxyphenyl)-4-methyl-2-(2-oxopropyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chloro-4-methoxyphenyl)-4-methyl-2-(2-oxopropyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-acetonyl-6-(3-chloro-4-methoxy-phenyl)-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C24H20ClN5O4 MolecularWeight: 477.8997

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=O)C2=C(N=C3N2C=C(N3C4=CC(=C(C=C4)OC)Cl)C5=CC=CC=C5)N(C1=O)C

Isomeric SMILES

CC(=O)CN1C(=O)C2=C(N=C3N2C=C(N3C4=CC(=C(C=C4)OC)Cl)C5=CC=CC=C5)N(C1=O)C

InChI

InChI=1S/C24H20ClN5O4/c1-14(31)12-29-22(32)20-21(27(2)24(29)33)26-23-28(20)13-18(15-7-5-4-6-8-15)30(23)16-9-10-19(34-3)17(25)11-16/h4-11,13H,12H2,1-3H3