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

Systemtic Name: 4,7-dimethyl-6-[[(2R)-oxolan-2-yl]methyl]-2-phenacyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-2-phenacyl-6-[[(2R)-tetrahydrofuran-2-yl]methyl]purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-6-[[(2R)-2-oxolanyl]methyl]-2-phenacylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-6-[[(2R)-oxolan-2-yl]methyl]-2-phenacylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7-dimethyl-2-phenacyl-6-[[(2R)-tetrahydrofuran-2-yl]methyl]purin[7,8-a]imidazole-1,3-quinone Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CC4CCCO4)N(C(=O)N(C3=O)CC(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C[C@H]4CCCO4)N(C(=O)N(C3=O)CC(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C22H23N5O4/c1-14-11-26-18-19(23-21(26)25(14)12-16-9-6-10-31-16)24(2)22(30)27(20(18)29)13-17(28)15-7-4-3-5-8-15/h3-5,7-8,11,16H,6,9-10,12-13H2,1-2H3/t16-/m1/s1