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

Systemtic Name: 4,7-dimethyl-2-phenethyl-6-[(1R)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-2-phenethyl-6-[(1R)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-2-phenethyl-6-[(1R)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-2-phenethyl-6-[(1R)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7-dimethyl-2-phenethyl-6-[(1R)-1-phenylethyl]purin[7,8-a]imidazole-1,3-quinone Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C(C)C4=CC=CC=C4)N(C(=O)N(C3=O)CCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1[C@H](C)C4=CC=CC=C4)N(C(=O)N(C3=O)CCC5=CC=CC=C5)C

InChI

InChI=1S/C25H25N5O2/c1-17-16-29-21-22(26-24(29)30(17)18(2)20-12-8-5-9-13-20)27(3)25(32)28(23(21)31)15-14-19-10-6-4-7-11-19/h4-13,16,18H,14-15H2,1-3H3/t18-/m1/s1