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

Systemtic Name: 6-[(2S)-butan-2-yl]-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7,8-trimethyl-6-[(1S)-1-methylpropyl]purino[7,8-a]imidazole-1,3-dione CAS Name: 6-[(2S)-butan-2-yl]-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-[(2S)-butan-2-yl]-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7,8-trimethyl-6-[(1S)-1-methylpropyl]purin[7,8-a]imidazole-1,3-quinone Formula: C14H19N5O2 MolecularWeight: 289.33296

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=C(N2C1=NC3=C2C(=O)NC(=O)N3C)C)C

Isomeric SMILES

CC[C@H](C)N1C(=C(N2C1=NC3=C2C(=O)NC(=O)N3C)C)C

InChI

InChI=1S/C14H19N5O2/c1-6-7(2)18-8(3)9(4)19-10-11(15-13(18)19)17(5)14(21)16-12(10)20/h7H,6H2,1-5H3,(H,16,20,21)/t7-/m0/s1