[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-dimethyl-[4-oxidanylidene-4-(propylamino)butyl]azanium iodide

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-dimethyl-[4-oxidanylidene-4-(propylamino)butyl]azanium iodide Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-dimethyl-[4-oxo-4-(propylamino)butyl]ammonium iodide CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl-dimethyl-[4-oxo-4-(propylamino)butyl]ammonium iodide IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-dimethyl-[4-oxo-4-(propylamino)butyl]azanium iodide Traditional Name: [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-[4-keto-4-(propylamino)butyl]-dimethyl-ammonium iodide Formula: C19H32IN7O4 MolecularWeight: 549.40635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCC[N+](C)(C)CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.[I-]

Isomeric SMILES

CCCNC(=O)CCC[N+](C)(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O.[I-]

InChI

InChI=1S/C19H31N7O4.HI/c1-4-7-21-13(27)6-5-8-26(2,3)9-12-15(28)16(29)19(30-12)25-11-24-14-17(20)22-10-23-18(14)25;/h10-12,15-16,19,28-29H,4-9H2,1-3H3,(H2-,20,21,22,23,27);1H/t12-,15-,16-,19-;/m1./s1