ethyl 2-[(2-azanyl-7H-purin-6-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(2-azanyl-7H-purin-6-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(2-amino-7H-purin-6-yl)sulfanyl]acetate CAS Name: 2-[(2-amino-7H-purin-6-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2-amino-7H-purin-6-yl)sulfanyl]acetate Traditional Name: 2-[(2-amino-7H-purin-6-yl)thio]acetic acid ethyl ester Formula: C9H11N5O2S MolecularWeight: 253.28094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC2=C1NC=N2)N

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC2=C1NC=N2)N

InChI

InChI=1S/C9H11N5O2S/c1-2-16-5(15)3-17-8-6-7(12-4-11-6)13-9(10)14-8/h4H,2-3H2,1H3,(H3,10,11,12,13,14)