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

Systemtic Name: 4-methyl-2-(2-oxidanylidenepropyl)-7-phenyl-6-propan-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-acetonyl-6-isopropyl-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4-methyl-2-(2-oxopropyl)-7-phenyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-methyl-2-(2-oxopropyl)-7-phenyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-acetonyl-6-isopropyl-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C20H21N5O3/c1-12(2)25-15(14-8-6-5-7-9-14)11-23-16-17(21-19(23)25)22(4)20(28)24(18(16)27)10-13(3)26/h5-9,11-12H,10H2,1-4H3