methyl 2-(7H-purin-6-ylamino)-3-sulfanyl-propanoate

Systemtic Name: methyl 2-(7H-purin-6-ylamino)-3-sulfanyl-propanoate Openeye Name: methyl 2-(7H-purin-6-ylamino)-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-(7H-purin-6-ylamino)propanoic acid methyl ester IUPAC Name: methyl 2-(7H-purin-6-ylamino)-3-sulfanylpropanoate Traditional Name: 3-mercapto-2-(7H-purin-6-ylamino)propionic acid methyl ester Formula: C9H11N5O2S MolecularWeight: 253.28094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CS)NC1=NC=NC2=C1NC=N2

Isomeric SMILES

COC(=O)C(CS)NC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C9H11N5O2S/c1-16-9(15)5(2-17)14-8-6-7(11-3-10-6)12-4-13-8/h3-5,17H,2H2,1H3,(H2,10,11,12,13,14)