(2R)-2-azanyl-4-[6-azanyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]butanoic acid

Systemtic Name: (2R)-2-azanyl-4-[6-azanyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]butanoic acid Openeye Name: (2R)-2-amino-4-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]butanoic acid CAS Name: (2R)-2-amino-4-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-purinyl]butanoic acid IUPAC Name: (2R)-2-amino-4-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]butanoic acid Traditional Name: (2R)-2-amino-4-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]purin-9-yl]butyric acid Formula: C16H15IN6O4S MolecularWeight: 514.29757

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=C(C=C2O1)I)SC3=NC4=C(N3CCC(C(=O)O)N)N=CN=C4N

Isomeric SMILES

C1OC2=CC(=C(C=C2O1)I)SC3=NC4=C(N3CC[C@H](C(=O)O)N)N=CN=C4N

InChI

InChI=1S/C16H15IN6O4S/c17-7-3-9-10(27-6-26-9)4-11(7)28-16-22-12-13(19)20-5-21-14(12)23(16)2-1-8(18)15(24)25/h3-5,8H,1-2,6,18H2,(H,24,25)(H2,19,20,21)/t8-/m1/s1