8-cyclopropyl-2-[[8-cyclopropyl-3-propyl-6-(pyridin-4-ylmethylamino)purin-2-yl]sulfanylmethylsulfanyl]-3-propyl-N-(pyridin-4-ylmethyl)purin-6-amine dihydrate tetrahydrochloride

Systemtic Name: 8-cyclopropyl-2-[[8-cyclopropyl-3-propyl-6-(pyridin-4-ylmethylamino)purin-2-yl]sulfanylmethylsulfanyl]-3-propyl-N-(pyridin-4-ylmethyl)purin-6-amine dihydrate tetrahydrochloride Openeye Name: 8-cyclopropyl-2-[[8-cyclopropyl-3-propyl-6-(4-pyridylmethylamino)purin-2-yl]sulfanylmethylsulfanyl]-3-propyl-N-(4-pyridylmethyl)purin-6-amine dihydrate tetrahydrochloride CAS Name: 8-cyclopropyl-2-[[[8-cyclopropyl-3-propyl-6-(pyridin-4-ylmethylamino)-2-purinyl]thio]methylthio]-3-propyl-N-(pyridin-4-ylmethyl)-6-purinamine dihydrate tetrahydrochloride IUPAC Name: 8-cyclopropyl-2-[[8-cyclopropyl-3-propyl-6-(pyridin-4-ylmethylamino)purin-2-yl]sulfanylmethylsulfanyl]-3-propyl-N-(pyridin-4-ylmethyl)purin-6-amine dihydrate tetrahydrochloride Traditional Name: [8-cyclopropyl-2-[[[8-cyclopropyl-3-propyl-6-(4-pyridylmethylamino)purin-2-yl]thio]methylthio]-3-propyl-purin-6-yl]-(4-pyridylmethyl)amine dihydrate tetrahydrochloride Formula: C35H48Cl4N12O2S2 MolecularWeight: 874.77682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC2=C(N=C1SCSC3=NC(=C4C(=NC(=N4)C5CC5)N3CCC)NCC6=CC=NC=C6)NCC7=CC=NC=C7)C8CC8.O.O.Cl.Cl.Cl.Cl

Isomeric SMILES

CCCN1C2=NC(=NC2=C(N=C1SCSC3=NC(=C4C(=NC(=N4)C5CC5)N3CCC)NCC6=CC=NC=C6)NCC7=CC=NC=C7)C8CC8.O.O.Cl.Cl.Cl.Cl

InChI

InChI=1S/C35H40N12S2.4ClH.2H2O/c1-3-17-46-32-26(40-28(42-32)24-5-6-24)30(38-19-22-9-13-36-14-10-22)44-34(46)48-21-49-35-45-31(39-20-23-11-15-37-16-12-23)27-33(47(35)18-4-2)43-29(41-27)25-7-8-25;;;;;;/h9-16,24-25,38-39H,3-8,17-21H2,1-2H3;4*1H;2*1H2