aziridine; 3-[[[9-[2,7-bis(oxidanyl)-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]purin-6-yl]amino]methylsulfanyl]propanoic acid

Systemtic Name: aziridine; 3-[[[9-[2,7-bis(oxidanyl)-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]purin-6-yl]amino]methylsulfanyl]propanoic acid Openeye Name: aziridine; 3-[[[9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)purin-6-yl]amino]methylsulfanyl]propanoic acid CAS Name: aziridine; 3-[[[9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-6-yl)-6-purinyl]amino]methylthio]propanoic acid IUPAC Name: aziridine; 3-[[[9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)purin-6-yl]amino]methylsulfanyl]propanoic acid Traditional Name: 3-[[[9-(2,7-dihydroxy-2-keto-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-6-yl)purin-6-yl]amino]methylthio]propionic acid; ethylenimine Formula: C16H23N6O8PS MolecularWeight: 490.427981

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1.C1C2C(C(C(O2)N3C=NC4=C3N=CN=C4NCSCCC(=O)O)O)OP(=O)(O1)O

Isomeric SMILES

C1CN1.C1C2C(C(C(O2)N3C=NC4=C3N=CN=C4NCSCCC(=O)O)O)OP(=O)(O1)O

InChI

InChI=1S/C14H18N5O8PS.C2H5N/c20-8(21)1-2-29-6-18-12-9-13(16-4-15-12)19(5-17-9)14-10(22)11-7(26-14)3-25-28(23,24)27-11;1-2-3-1/h4-5,7,10-11,14,22H,1-3,6H2,(H,20,21)(H,23,24)(H,15,16,18);3H,1-2H2