methyl 2-[4-[(6-azanyl-7H-purin-2-yl)sulfanylmethyl]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[(6-azanyl-7H-purin-2-yl)sulfanylmethyl]phenyl]ethanoate Openeye Name: methyl 2-[4-[(6-amino-7H-purin-2-yl)sulfanylmethyl]phenyl]acetate CAS Name: 2-[4-[[(6-amino-7H-purin-2-yl)thio]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(6-amino-7H-purin-2-yl)sulfanylmethyl]phenyl]acetate Traditional Name: 2-[4-[[(6-amino-7H-purin-2-yl)thio]methyl]phenyl]acetic acid methyl ester Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)N)NC=N3

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)N)NC=N3

InChI

InChI=1S/C15H15N5O2S/c1-22-11(21)6-9-2-4-10(5-3-9)7-23-15-19-13(16)12-14(20-15)18-8-17-12/h2-5,8H,6-7H2,1H3,(H3,16,17,18,19,20)