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

Systemtic Name: (2R)-2-azanyl-5-[6-azanyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]pentanoic acid Openeye Name: (2R)-2-amino-5-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]pentanoic acid CAS Name: (2R)-2-amino-5-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-purinyl]pentanoic acid IUPAC Name: (2R)-2-amino-5-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]pentanoic acid Traditional Name: (2R)-2-amino-5-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]purin-9-yl]valeric acid Formula: C17H17IN6O4S MolecularWeight: 528.32415

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=C(C=C2O1)I)SC3=NC4=C(N3CCCC(C(=O)O)N)N=CN=C4N

Isomeric SMILES

C1OC2=CC(=C(C=C2O1)I)SC3=NC4=C(N3CCC[C@H](C(=O)O)N)N=CN=C4N

InChI

InChI=1S/C17H17IN6O4S/c18-8-4-10-11(28-7-27-10)5-12(8)29-17-23-13-14(20)21-6-22-15(13)24(17)3-1-2-9(19)16(25)26/h4-6,9H,1-3,7,19H2,(H,25,26)(H2,20,21,22)/t9-/m1/s1