2-azanyl-4-[[[9-(4-oxidanyl-5-phosphonooxy-oxolan-2-yl)purin-6-yl]amino]methylsulfanyl]butanoic acid

Systemtic Name: 2-azanyl-4-[[[9-(4-oxidanyl-5-phosphonooxy-oxolan-2-yl)purin-6-yl]amino]methylsulfanyl]butanoic acid Openeye Name: 2-amino-4-[[[9-(4-hydroxy-5-phosphonooxy-tetrahydrofuran-2-yl)purin-6-yl]amino]methylsulfanyl]butanoic acid CAS Name: 2-amino-4-[[[9-(4-hydroxy-5-phosphonooxy-2-oxolanyl)-6-purinyl]amino]methylthio]butanoic acid IUPAC Name: 2-amino-4-[[[9-(4-hydroxy-5-phosphonooxyoxolan-2-yl)purin-6-yl]amino]methylsulfanyl]butanoic acid Traditional Name: 2-amino-4-[[[9-(4-hydroxy-5-phosphonooxy-tetrahydrofuran-2-yl)purin-6-yl]amino]methylthio]butyric acid Formula: C14H21N6O8PS MolecularWeight: 464.390701

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3NCSCCC(C(=O)O)N)OP(=O)(O)O)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3NCSCCC(C(=O)O)N)OP(=O)(O)O)O

InChI

InChI=1S/C14H21N6O8PS/c15-7(13(22)23)1-2-30-6-19-11-10-12(17-4-16-11)20(5-18-10)9-3-8(21)14(27-9)28-29(24,25)26/h4-5,7-9,14,21H,1-3,6,15H2,(H,22,23)(H,16,17,19)(H2,24,25,26)