methyl 2-[3-[[2-chloranyl-6-(oxan-2-ylamino)purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[2-chloranyl-6-(oxan-2-ylamino)purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[2-chloro-6-(tetrahydropyran-2-ylamino)purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[2-chloro-6-(2-oxanylamino)-9-purinyl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[2-chloro-6-(oxan-2-ylamino)purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[2-chloro-6-(tetrahydropyran-2-ylamino)purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C20H22ClN5O3 MolecularWeight: 415.87338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NC4CCCCO4)Cl

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NC4CCCCO4)Cl

InChI

InChI=1S/C20H22ClN5O3/c1-28-16(27)10-13-5-4-6-14(9-13)11-26-12-22-17-18(24-20(21)25-19(17)26)23-15-7-2-3-8-29-15/h4-6,9,12,15H,2-3,7-8,10-11H2,1H3,(H,23,24,25)