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

Systemtic Name: cyclopentyl (2R)-2-azanyl-5-[6-azanyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]pentanoate Openeye Name: cyclopentyl (2R)-2-amino-5-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]pentanoate CAS Name: (2R)-2-amino-5-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-purinyl]pentanoic acid cyclopentyl ester IUPAC Name: cyclopentyl (2R)-2-amino-5-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]pentanoate Traditional Name: (2R)-2-amino-5-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]purin-9-yl]valeric acid cyclopentyl ester Formula: C22H25IN6O4S MolecularWeight: 596.44117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)C(CCCN2C3=C(C(=NC=N3)N)N=C2SC4=C(C=C5C(=C4)OCO5)I)N

Isomeric SMILES

C1CCC(C1)OC(=O)[C@@H](CCCN2C3=C(C(=NC=N3)N)N=C2SC4=C(C=C5C(=C4)OCO5)I)N

InChI

InChI=1S/C22H25IN6O4S/c23-13-8-15-16(32-11-31-15)9-17(13)34-22-28-18-19(25)26-10-27-20(18)29(22)7-3-6-14(24)21(30)33-12-4-1-2-5-12/h8-10,12,14H,1-7,11,24H2,(H2,25,26,27)/t14-/m1/s1