2-[4-methyl-6-(4-methylphenyl)-1,3-bis(oxidanylidene)-7,8-dihydropurino[7,8-a]imidazol-2-yl]ethanoate

Systemtic Name: 2-[4-methyl-6-(4-methylphenyl)-1,3-bis(oxidanylidene)-7,8-dihydropurino[7,8-a]imidazol-2-yl]ethanoate Openeye Name: 2-[4-methyl-1,3-dioxo-6-(p-tolyl)-7,8-dihydropurino[7,8-a]imidazol-2-yl]acetate CAS Name: 2-[4-methyl-6-(4-methylphenyl)-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-2-yl]acetate IUPAC Name: 2-[4-methyl-6-(4-methylphenyl)-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-2-yl]acetate Traditional Name: 2-[1,3-diketo-4-methyl-6-(p-tolyl)-7,8-dihydropurin[7,8-a]imidazol-2-yl]acetate Formula: C17H16N5O4- MolecularWeight: 354.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)[O-]

InChI

InChI=1S/C17H17N5O4/c1-10-3-5-11(6-4-10)20-7-8-21-13-14(18-16(20)21)19(2)17(26)22(15(13)25)9-12(23)24/h3-6H,7-9H2,1-2H3,(H,23,24)/p-1