8-ethyl-2,4-dimethyl-6-(4-oxidanylbutyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 8-ethyl-2,4-dimethyl-6-(4-oxidanylbutyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 8-ethyl-6-(4-hydroxybutyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 8-ethyl-6-(4-hydroxybutyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 8-ethyl-6-(4-hydroxybutyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 8-ethyl-6-(4-hydroxybutyl)-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)CCCCO)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)CCCCO)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O3/c1-4-15-16(14-10-6-5-7-11-14)25(12-8-9-13-27)20-22-18-17(26(15)20)19(28)24(3)21(29)23(18)2/h5-7,10-11,27H,4,8-9,12-13H2,1-3H3