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

Systemtic Name: ethyl 2-(7H-purin-6-ylamino)-3-sulfanyl-propanoate Openeye Name: ethyl 2-(7H-purin-6-ylamino)-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-(7H-purin-6-ylamino)propanoic acid ethyl ester IUPAC Name: ethyl 2-(7H-purin-6-ylamino)-3-sulfanylpropanoate Traditional Name: 3-mercapto-2-(7H-purin-6-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=NC2=C1NC=N2

Isomeric SMILES

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

InChI

InChI=1S/C10H13N5O2S/c1-2-17-10(16)6(3-18)15-9-7-8(12-4-11-7)13-5-14-9/h4-6,18H,2-3H2,1H3,(H2,11,12,13,14,15)