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

Systemtic Name: 6-[(2R)-butan-2-yl]-4,7-dimethyl-2-pentyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-6-[(1R)-1-methylpropyl]-2-pentyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-[(2R)-butan-2-yl]-4,7-dimethyl-2-pentylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-[(2R)-butan-2-yl]-4,7-dimethyl-2-pentylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-amyl-4,7-dimethyl-6-[(1R)-1-methylpropyl]purin[7,8-a]imidazole-1,3-quinone Formula: C18H27N5O2 MolecularWeight: 345.43928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C3N2C=C(N3C(C)CC)C)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2C=C(N3[C@H](C)CC)C)N(C1=O)C

InChI

InChI=1S/C18H27N5O2/c1-6-8-9-10-21-16(24)14-15(20(5)18(21)25)19-17-22(14)11-13(4)23(17)12(3)7-2/h11-12H,6-10H2,1-5H3/t12-/m1/s1