methyl (2R)-2-azanyl-3-[2-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)ethylsulfanyl]propanoate

Systemtic Name: methyl (2R)-2-azanyl-3-[2-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)ethylsulfanyl]propanoate Openeye Name: methyl (2R)-2-amino-3-[2-(2-amino-6-oxo-3H-purin-7-yl)ethylsulfanyl]propanoate CAS Name: (2R)-2-amino-3-[2-(2-amino-6-oxo-3H-purin-7-yl)ethylthio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-amino-3-[2-(2-amino-6-oxo-3H-purin-7-yl)ethylsulfanyl]propanoate Traditional Name: (2R)-2-amino-3-[2-(2-amino-6-keto-3H-purin-7-yl)ethylthio]propionic acid methyl ester Formula: C11H16N6O3S MolecularWeight: 312.34814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCCN1C=NC2=C1C(=O)N=C(N2)N)N

Isomeric SMILES

COC(=O)[C@H](CSCCN1C=NC2=C1C(=O)N=C(N2)N)N

InChI

InChI=1S/C11H16N6O3S/c1-20-10(19)6(12)4-21-3-2-17-5-14-8-7(17)9(18)16-11(13)15-8/h5-6H,2-4,12H2,1H3,(H3,13,15,16,18)/t6-/m0/s1