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

Systemtic Name: 6-(3-chloranyl-4-methyl-phenyl)-4,7,8-trimethyl-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-allyl-6-(3-chloro-4-methyl-phenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-chloro-4-methylphenyl)-4,7,8-trimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chloro-4-methylphenyl)-4,7,8-trimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-allyl-6-(3-chloro-4-methyl-phenyl)-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O2/c1-6-9-24-18(27)16-17(23(5)20(24)28)22-19-25(12(3)13(4)26(16)19)14-8-7-11(2)15(21)10-14/h6-8,10H,1,9H2,2-5H3