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

Systemtic Name: 4,7-dimethyl-2-(2-oxidanylidenepropyl)-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-acetonyl-4,7-dimethyl-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-2-(2-oxopropyl)-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-2-(2-oxopropyl)-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-acetonyl-4,7-dimethyl-6-(4-phenoxyphenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C24H21N5O4 MolecularWeight: 443.45464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)OC5=CC=CC=C5)N(C(=O)N(C3=O)CC(=O)C)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)OC5=CC=CC=C5)N(C(=O)N(C3=O)CC(=O)C)C

InChI

InChI=1S/C24H21N5O4/c1-15-13-27-20-21(26(3)24(32)28(22(20)31)14-16(2)30)25-23(27)29(15)17-9-11-19(12-10-17)33-18-7-5-4-6-8-18/h4-13H,14H2,1-3H3