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

Systemtic Name: 4,7,8-trimethyl-6-(3-methylphenyl)-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-allyl-4,7,8-trimethyl-6-(m-tolyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-6-(3-methylphenyl)-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-6-(3-methylphenyl)-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-allyl-4,7,8-trimethyl-6-(m-tolyl)purin[7,8-a]imidazole-1,3-quinone Formula: C20H21N5O2 MolecularWeight: 363.41304

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2/c1-6-10-23-18(26)16-17(22(5)20(23)27)21-19-24(13(3)14(4)25(16)19)15-9-7-8-12(2)11-15/h6-9,11H,1,10H2,2-5H3