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

Systemtic Name: 4,7,8-trimethyl-2-[(2R)-3-oxidanylidenebutan-2-yl]-6-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7,8-trimethyl-2-[(1R)-1-methyl-2-oxo-propyl]-6-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-2-[(2R)-3-oxobutan-2-yl]-6-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-2-[(2R)-3-oxobutan-2-yl]-6-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-[(1R)-2-keto-1-methyl-propyl]-4,7,8-trimethyl-6-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)C(C)C(=O)C)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)[C@H](C)C(=O)C)C)C

InChI

InChI=1S/C22H25N5O3/c1-13-14(2)26-18-19(24(5)22(30)27(20(18)29)15(3)16(4)28)23-21(26)25(13)12-11-17-9-7-6-8-10-17/h6-10,15H,11-12H2,1-5H3/t15-/m1/s1