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

Systemtic Name: 6-[(2S)-butan-2-yl]-4,7-dimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-6-[(1S)-1-methylpropyl]-2-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-[(2S)-butan-2-yl]-4,7-dimethyl-2-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-[(2S)-butan-2-yl]-4,7-dimethyl-2-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7-dimethyl-6-[(1S)-1-methylpropyl]-2-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CCC4=CC=CC=C4)C

Isomeric SMILES

CC[C@H](C)N1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CCC4=CC=CC=C4)C

InChI

InChI=1S/C21H25N5O2/c1-5-14(2)26-15(3)13-25-17-18(22-20(25)26)23(4)21(28)24(19(17)27)12-11-16-9-7-6-8-10-16/h6-10,13-14H,5,11-12H2,1-4H3/t14-/m0/s1