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

Systemtic Name: 8-butyl-6-(2-methoxyethyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 8-butyl-6-(2-methoxyethyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 8-butyl-6-(2-methoxyethyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 8-butyl-6-(2-methoxyethyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 8-butyl-6-(2-methoxyethyl)-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)CCOC)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)CCOC)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O3/c1-5-6-12-16-17(15-10-8-7-9-11-15)26(13-14-30-4)21-23-19-18(27(16)21)20(28)25(3)22(29)24(19)2/h7-11H,5-6,12-14H2,1-4H3