2-hexyl-4,7,8-trimethyl-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2-hexyl-4,7,8-trimethyl-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-benzyl-2-hexyl-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-hexyl-4,7,8-trimethyl-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-benzyl-2-hexyl-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-benzyl-2-hexyl-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C23H29N5O2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C3N2C(=C(N3CC4=CC=CC=C4)C)C)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C3N2C(=C(N3CC4=CC=CC=C4)C)C)N(C1=O)C

InChI

InChI=1S/C23H29N5O2/c1-5-6-7-11-14-26-21(29)19-20(25(4)23(26)30)24-22-27(16(2)17(3)28(19)22)15-18-12-9-8-10-13-18/h8-10,12-13H,5-7,11,14-15H2,1-4H3