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

Systemtic Name: 4-methyl-2,6-bis[(2R)-3-oxidanylidenebutan-2-yl]-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4-methyl-2,6-bis[(1R)-1-methyl-2-oxo-propyl]-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4-methyl-2,6-bis[(2R)-3-oxobutan-2-yl]-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-methyl-2,6-bis[(2R)-3-oxobutan-2-yl]-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2,6-bis[(1R)-2-keto-1-methyl-propyl]-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)C)N1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)[C@H](C)C(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O4/c1-12(14(3)28)26-17(16-9-7-6-8-10-16)11-25-18-19(23-21(25)26)24(5)22(31)27(20(18)30)13(2)15(4)29/h6-13H,1-5H3/t12-,13-/m1/s1