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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4=CC=CC=C4OC)N(C(=O)N(C3=O)CCC(C)C)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4=CC=CC=C4OC)N(C(=O)N(C3=O)CCC(C)C)C

InChI

InChI=1S/C21H25N5O3/c1-13(2)10-11-24-19(27)17-18(23(4)21(24)28)22-20-25(17)12-14(3)26(20)15-8-6-7-9-16(15)29-5/h6-9,12-13H,10-11H2,1-5H3