2-[4,7-dimethyl-1,3-bis(oxidanylidene)-2-phenethyl-purino[7,8-a]imidazol-6-yl]ethanoate

Systemtic Name: 2-[4,7-dimethyl-1,3-bis(oxidanylidene)-2-phenethyl-purino[7,8-a]imidazol-6-yl]ethanoate Openeye Name: 2-(4,7-dimethyl-1,3-dioxo-2-phenethyl-purino[7,8-a]imidazol-6-yl)acetate CAS Name: 2-(4,7-dimethyl-1,3-dioxo-2-phenethyl-6-purino[7,8-a]imidazolyl)acetate IUPAC Name: 2-(4,7-dimethyl-1,3-dioxo-2-phenethylpurino[7,8-a]imidazol-6-yl)acetate Traditional Name: 2-(1,3-diketo-4,7-dimethyl-2-phenethyl-purin[7,8-a]imidazol-6-yl)acetate Formula: C19H18N5O4- MolecularWeight: 380.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CC(=O)[O-])N(C(=O)N(C3=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CC(=O)[O-])N(C(=O)N(C3=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C19H19N5O4/c1-12-10-24-15-16(20-18(24)23(12)11-14(25)26)21(2)19(28)22(17(15)27)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H,25,26)/p-1