9-[3-(butan-2-ylamino)propyl]-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine

Systemtic Name: 9-[3-(butan-2-ylamino)propyl]-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine Openeye Name: 8-(2-iodo-5-methoxy-phenyl)sulfanyl-9-[3-(sec-butylamino)propyl]purin-6-amine CAS Name: 9-[3-(butan-2-ylamino)propyl]-8-[(2-iodo-5-methoxyphenyl)thio]-6-purinamine IUPAC Name: 9-[3-(butan-2-ylamino)propyl]-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-6-amine Traditional Name: 3-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]propyl-sec-butyl-amine Formula: C19H25IN6OS MolecularWeight: 512.41087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

Isomeric SMILES

CCC(C)NCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

InChI

InChI=1S/C19H25IN6OS/c1-4-12(2)22-8-5-9-26-18-16(17(21)23-11-24-18)25-19(26)28-15-10-13(27-3)6-7-14(15)20/h6-7,10-12,22H,4-5,8-9H2,1-3H3,(H2,21,23,24)