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

Systemtic Name: 6-butyl-4,7,8-trimethyl-2-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-benzyl-6-butyl-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-butyl-4,7,8-trimethyl-2-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-benzyl-6-butyl-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-benzyl-6-butyl-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC4=CC=CC=C4)C)C

Isomeric SMILES

CCCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C21H25N5O2/c1-5-6-12-24-14(2)15(3)26-17-18(22-20(24)26)23(4)21(28)25(19(17)27)13-16-10-8-7-9-11-16/h7-11H,5-6,12-13H2,1-4H3