aziridine; 3-[[[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]methylsulfanyl]propanoic acid

Systemtic Name: aziridine; 3-[[[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]methylsulfanyl]propanoic acid Openeye Name: aziridine; 3-[[[9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]methylsulfanyl]propanoic acid CAS Name: aziridine; 3-[[[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]methylthio]propanoic acid IUPAC Name: aziridine; 3-[[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]methylsulfanyl]propanoic acid Traditional Name: 3-[[[9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-6-yl]amino]methylthio]propionic acid; ethylenimine Formula: C16H24N6O6S MolecularWeight: 428.46336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1.C1=NC2=C(C(=N1)NCSCCC(=O)O)N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

C1CN1.C1=NC2=C(C(=N1)NCSCCC(=O)O)N=CN2C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C14H19N5O6S.C2H5N/c20-3-7-10(23)11(24)14(25-7)19-5-17-9-12(15-4-16-13(9)19)18-6-26-2-1-8(21)22;1-2-3-1/h4-5,7,10-11,14,20,23-24H,1-3,6H2,(H,21,22)(H,15,16,18);3H,1-2H2