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

Systemtic Name: 4,7,8-trimethyl-2-[(2R)-3-oxidanylidenebutan-2-yl]-6-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7,8-trimethyl-2-[(1R)-1-methyl-2-oxo-propyl]-6-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-2-[(2R)-3-oxobutan-2-yl]-6-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-2-[(2R)-3-oxobutan-2-yl]-6-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-[(1R)-2-keto-1-methyl-propyl]-4,7,8-trimethyl-6-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1C4=CC=CC=C4)N(C(=O)N(C3=O)C(C)C(=O)C)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1C4=CC=CC=C4)N(C(=O)N(C3=O)[C@H](C)C(=O)C)C)C

InChI

InChI=1S/C20H21N5O3/c1-11-12(2)24-16-17(21-19(24)23(11)15-9-7-6-8-10-15)22(5)20(28)25(18(16)27)13(3)14(4)26/h6-10,13H,1-5H3/t13-/m1/s1