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

Systemtic Name: ethyl 2-[6-(3-chlorophenyl)-4,7,8-trimethyl-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-2-yl]ethanoate Openeye Name: ethyl 2-[6-(3-chlorophenyl)-4,7,8-trimethyl-1,3-dioxo-purino[7,8-a]imidazol-2-yl]acetate CAS Name: 2-[6-(3-chlorophenyl)-4,7,8-trimethyl-1,3-dioxo-2-purino[7,8-a]imidazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(3-chlorophenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate Traditional Name: 2-[6-(3-chlorophenyl)-1,3-diketo-4,7,8-trimethyl-purin[7,8-a]imidazol-2-yl]acetic acid ethyl ester Formula: C20H20ClN5O4 MolecularWeight: 429.8569

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC(=CC=C4)Cl)C)C)N(C1=O)C

Isomeric SMILES

CCOC(=O)CN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC(=CC=C4)Cl)C)C)N(C1=O)C

InChI

InChI=1S/C20H20ClN5O4/c1-5-30-15(27)10-24-18(28)16-17(23(4)20(24)29)22-19-25(11(2)12(3)26(16)19)14-8-6-7-13(21)9-14/h6-9H,5,10H2,1-4H3