6-[(4-bromanylthiophen-2-yl)methoxy]-9-(octoxymethyl)purin-2-amine

Systemtic Name: 6-[(4-bromanylthiophen-2-yl)methoxy]-9-(octoxymethyl)purin-2-amine Openeye Name: 6-[(4-bromo-2-thienyl)methoxy]-9-(octoxymethyl)purin-2-amine CAS Name: 6-[(4-bromo-2-thiophenyl)methoxy]-9-(octoxymethyl)-2-purinamine IUPAC Name: 6-[(4-bromothiophen-2-yl)methoxy]-9-(octoxymethyl)purin-2-amine Traditional Name: [6-[(4-bromo-2-thienyl)methoxy]-9-(octoxymethyl)purin-2-yl]amine Formula: C19H26BrN5O2S MolecularWeight: 468.41104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCN1C=NC2=C1N=C(N=C2OCC3=CC(=CS3)Br)N

Isomeric SMILES

CCCCCCCCOCN1C=NC2=C1N=C(N=C2OCC3=CC(=CS3)Br)N

InChI

InChI=1S/C19H26BrN5O2S/c1-2-3-4-5-6-7-8-26-13-25-12-22-16-17(25)23-19(21)24-18(16)27-10-15-9-14(20)11-28-15/h9,11-12H,2-8,10,13H2,1H3,(H2,21,23,24)