ethyl 2-[6-chloranyl-2-methyl-9-(2-methylsulfanyl-4-propan-2-yl-phenyl)-8-oxidanylidene-purin-7-yl]ethanoate

Systemtic Name: ethyl 2-[6-chloranyl-2-methyl-9-(2-methylsulfanyl-4-propan-2-yl-phenyl)-8-oxidanylidene-purin-7-yl]ethanoate Openeye Name: ethyl 2-[6-chloro-9-(4-isopropyl-2-methylsulfanyl-phenyl)-2-methyl-8-oxo-purin-7-yl]acetate CAS Name: 2-[6-chloro-2-methyl-9-[2-(methylthio)-4-propan-2-ylphenyl]-8-oxo-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-chloro-2-methyl-9-(2-methylsulfanyl-4-propan-2-ylphenyl)-8-oxopurin-7-yl]acetate Traditional Name: 2-[6-chloro-9-[4-isopropyl-2-(methylthio)phenyl]-8-keto-2-methyl-purin-7-yl]acetic acid ethyl ester Formula: C20H23ClN4O3S MolecularWeight: 434.93962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(N=C(N=C2Cl)C)N(C1=O)C3=C(C=C(C=C3)C(C)C)SC

Isomeric SMILES

CCOC(=O)CN1C2=C(N=C(N=C2Cl)C)N(C1=O)C3=C(C=C(C=C3)C(C)C)SC

InChI

InChI=1S/C20H23ClN4O3S/c1-6-28-16(26)10-24-17-18(21)22-12(4)23-19(17)25(20(24)27)14-8-7-13(11(2)3)9-15(14)29-5/h7-9,11H,6,10H2,1-5H3