(2-azanyl-7H-purin-6-yl)sulfanylmethyl 3-azanylpropanoate

Systemtic Name: (2-azanyl-7H-purin-6-yl)sulfanylmethyl 3-azanylpropanoate Openeye Name: (2-amino-7H-purin-6-yl)sulfanylmethyl 3-aminopropanoate CAS Name: 3-aminopropanoic acid [(2-amino-7H-purin-6-yl)thio]methyl ester IUPAC Name: (2-amino-7H-purin-6-yl)sulfanylmethyl 3-aminopropanoate Traditional Name: 3-aminopropionic acid [(2-amino-7H-purin-6-yl)thio]methyl ester Formula: C9H12N6O2S MolecularWeight: 268.29558

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC(=N2)N)SCOC(=O)CCN

Isomeric SMILES

C1=NC2=C(N1)C(=NC(=N2)N)SCOC(=O)CCN

InChI

InChI=1S/C9H12N6O2S/c10-2-1-5(16)17-4-18-8-6-7(13-3-12-6)14-9(11)15-8/h3H,1-2,4,10H2,(H3,11,12,13,14,15)