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

Systemtic Name: 4,7,8-trimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7,8-trimethyl-6-(m-tolyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7,8-trimethyl-6-(m-tolyl)purin[7,8-a]imidazole-1,3-quinone Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O2/c1-9-6-5-7-12(8-9)21-10(2)11(3)22-13-14(18-16(21)22)20(4)17(24)19-15(13)23/h5-8H,1-4H3,(H,19,23,24)