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

Systemtic Name: 2-butyl-6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-butyl-6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-butyl-6-[(4-methoxyphenyl)methyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-butyl-6-[(4-methoxyphenyl)methyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-butyl-4,7-dimethyl-6-p-anisyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C3N2C=C(N3CC4=CC=C(C=C4)OC)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C3N2C=C(N3CC4=CC=C(C=C4)OC)C)N(C1=O)C

InChI

InChI=1S/C21H25N5O3/c1-5-6-11-24-19(27)17-18(23(3)21(24)28)22-20-25(14(2)12-26(17)20)13-15-7-9-16(29-4)10-8-15/h7-10,12H,5-6,11,13H2,1-4H3