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

Systemtic Name: ethyl 2-[6-(3-chloranyl-2-methyl-phenyl)-4,7,8-trimethyl-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-2-yl]ethanoate Openeye Name: ethyl 2-[6-(3-chloro-2-methyl-phenyl)-4,7,8-trimethyl-1,3-dioxo-purino[7,8-a]imidazol-2-yl]acetate CAS Name: 2-[6-(3-chloro-2-methylphenyl)-4,7,8-trimethyl-1,3-dioxo-2-purino[7,8-a]imidazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(3-chloro-2-methylphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate Traditional Name: 2-[6-(3-chloro-2-methyl-phenyl)-1,3-diketo-4,7,8-trimethyl-purin[7,8-a]imidazol-2-yl]acetic acid ethyl ester Formula: C21H22ClN5O4 MolecularWeight: 443.88348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O4/c1-6-31-16(28)10-25-19(29)17-18(24(5)21(25)30)23-20-26(12(3)13(4)27(17)20)15-9-7-8-14(22)11(15)2/h7-9H,6,10H2,1-5H3