6-heptyl-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-heptyl-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-heptyl-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-heptyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-heptyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-heptyl-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2/c1-4-5-6-7-11-14-26-17(16-12-9-8-10-13-16)15-27-18-19(23-21(26)27)24(2)22(29)25(3)20(18)28/h8-10,12-13,15H,4-7,11,14H2,1-3H3