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

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

Systemtic Name:4,7,8-trimethyl-2-(3-methylbutyl)-6-phenyl-purino[7,8-a]imidazole-1,3-dione
Openeye Name:2-isopentyl-4,7,8-trimethyl-6-phenyl-purino[7,8-a]imidazole-1,3-dione
CAS Name:4,7,8-trimethyl-2-(3-methylbutyl)-6-phenylpurino[7,8-a]imidazole-1,3-dione
IUPAC Name:4,7,8-trimethyl-2-(3-methylbutyl)-6-phenylpurino[7,8-a]imidazole-1,3-dione
Traditional Name:2-isoamyl-4,7,8-trimethyl-6-phenyl-purin[7,8-a]imidazole-1,3-quinone
Formula: C21H25N5O2
MolecularWeight: 379.4555
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1C4=CC=CC=C4)N(C(=O)N(C3=O)CCC(C)C)C)C


Isomeric SMILES

CC1=C(N2C3=C(N=C2N1C4=CC=CC=C4)N(C(=O)N(C3=O)CCC(C)C)C)C


InChI

InChI=1S/C21H25N5O2/c1-13(2)11-12-24-19(27)17-18(23(5)21(24)28)22-20-25(14(3)15(4)26(17)20)16-9-7-6-8-10-16/h6-10,13H,11-12H2,1-5H3


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