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

Systemtic Name: 4,7-dimethyl-2-[(2R)-3-oxidanylidenebutan-2-yl]-6-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-2-[(1R)-1-methyl-2-oxo-propyl]-6-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-2-[(2R)-3-oxobutan-2-yl]-6-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-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-dimethyl-6-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)C(C)C(=O)C)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)[C@H](C)C(=O)C)C

InChI

InChI=1S/C21H23N5O3/c1-13-12-25-17-18(23(4)21(29)26(19(17)28)14(2)15(3)27)22-20(25)24(13)11-10-16-8-6-5-7-9-16/h5-9,12,14H,10-11H2,1-4H3/t14-/m1/s1