ethyl 2-(7H-purin-2-ylamino)-3-sulfanyl-propanoate

Systemtic Name: ethyl 2-(7H-purin-2-ylamino)-3-sulfanyl-propanoate Openeye Name: ethyl 2-(7H-purin-2-ylamino)-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-(7H-purin-2-ylamino)propanoic acid ethyl ester IUPAC Name: ethyl 2-(7H-purin-2-ylamino)-3-sulfanylpropanoate Traditional Name: 3-mercapto-2-(7H-purin-2-ylamino)propionic acid ethyl ester Formula: C10H13N5O2S MolecularWeight: 267.30752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC1=NC=C2C(=N1)N=CN2

Isomeric SMILES

CCOC(=O)C(CS)NC1=NC=C2C(=N1)N=CN2

InChI

InChI=1S/C10H13N5O2S/c1-2-17-9(16)7(4-18)14-10-11-3-6-8(15-10)13-5-12-6/h3,5,7,18H,2,4H2,1H3,(H2,11,12,13,14,15)