methyl 2-[3-[[6-azanyl-2-(2-methylsulfanylethoxy)purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(2-methylsulfanylethoxy)purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(2-methylsulfanylethoxy)purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-[2-(methylthio)ethoxy]-9-purinyl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(2-methylsulfanylethoxy)purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-[2-(methylthio)ethoxy]purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3N)OCCSC

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3N)OCCSC

InChI

InChI=1S/C18H21N5O3S/c1-25-14(24)9-12-4-3-5-13(8-12)10-23-11-20-15-16(19)21-18(22-17(15)23)26-6-7-27-2/h3-5,8,11H,6-7,9-10H2,1-2H3,(H2,19,21,22)