6-(3,5-dimethylphenyl)-4,7,8-trimethyl-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3,5-dimethylphenyl)-4,7,8-trimethyl-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-allyl-6-(3,5-dimethylphenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3,5-dimethylphenyl)-4,7,8-trimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3,5-dimethylphenyl)-4,7,8-trimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-allyl-6-(3,5-dimethylphenyl)-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2/c1-7-8-24-19(27)17-18(23(6)21(24)28)22-20-25(14(4)15(5)26(17)20)16-10-12(2)9-13(3)11-16/h7,9-11H,1,8H2,2-6H3