6-(5-chloranyl-2-methyl-phenyl)-4,7,8-trimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(5-chloranyl-2-methyl-phenyl)-4,7,8-trimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(5-chloro-2-methyl-phenyl)-4,7,8-trimethyl-2-(2-methylallyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(5-chloro-2-methylphenyl)-4,7,8-trimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(5-chloro-2-methylphenyl)-4,7,8-trimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(5-chloro-2-methyl-phenyl)-4,7,8-trimethyl-2-(2-methylallyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=C)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=C)C)C)C

InChI

InChI=1S/C21H22ClN5O2/c1-11(2)10-25-19(28)17-18(24(6)21(25)29)23-20-26(13(4)14(5)27(17)20)16-9-15(22)8-7-12(16)3/h7-9H,1,10H2,2-6H3