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

Systemtic Name: 6-butan-2-yl-2-heptyl-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-heptyl-4,7,8-trimethyl-6-sec-butyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-butan-2-yl-2-heptyl-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-butan-2-yl-2-heptyl-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-heptyl-4,7,8-trimethyl-6-sec-butyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H33N5O2 MolecularWeight: 387.51902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C2=C(N=C3N2C(=C(N3C(C)CC)C)C)N(C1=O)C

Isomeric SMILES

CCCCCCCN1C(=O)C2=C(N=C3N2C(=C(N3C(C)CC)C)C)N(C1=O)C

InChI

InChI=1S/C21H33N5O2/c1-7-9-10-11-12-13-24-19(27)17-18(23(6)21(24)28)22-20-25(14(3)8-2)15(4)16(5)26(17)20/h14H,7-13H2,1-6H3