2-[6-(2,2-diphenylethylamino)-2-(pyrrolidin-3-ylamino)purin-9-yl]-5-(2-ethyl-1,2,3,4-tetrazol-5-yl)oxolane-3,4-diol dihydrochloride

Systemtic Name: 2-[6-(2,2-diphenylethylamino)-2-(pyrrolidin-3-ylamino)purin-9-yl]-5-(2-ethyl-1,2,3,4-tetrazol-5-yl)oxolane-3,4-diol dihydrochloride Openeye Name: 2-[6-(2,2-diphenylethylamino)-2-(pyrrolidin-3-ylamino)purin-9-yl]-5-(2-ethyltetrazol-5-yl)tetrahydrofuran-3,4-diol dihydrochloride CAS Name: 2-[6-(2,2-diphenylethylamino)-2-(3-pyrrolidinylamino)-9-purinyl]-5-(2-ethyl-5-tetrazolyl)oxolane-3,4-diol dihydrochloride IUPAC Name: 2-[6-(2,2-diphenylethylamino)-2-(pyrrolidin-3-ylamino)purin-9-yl]-5-(2-ethyltetrazol-5-yl)oxolane-3,4-diol dihydrochloride Traditional Name: 2-[6-(2,2-diphenylethylamino)-2-(pyrrolidin-3-ylamino)purin-9-yl]-5-(2-ethyltetrazol-5-yl)tetrahydrofuran-3,4-diol dihydrochloride Formula: C30H37Cl2N11O3 MolecularWeight: 670.59268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(N=N1)C2C(C(C(O2)N3C=NC4=C3N=C(N=C4NCC(C5=CC=CC=C5)C6=CC=CC=C6)NC7CCNC7)O)O.Cl.Cl

Isomeric SMILES

CCN1N=C(N=N1)C2C(C(C(O2)N3C=NC4=C3N=C(N=C4NCC(C5=CC=CC=C5)C6=CC=CC=C6)NC7CCNC7)O)O.Cl.Cl

InChI

InChI=1S/C30H35N11O3.2ClH/c1-2-41-38-27(37-39-41)25-23(42)24(43)29(44-25)40-17-33-22-26(35-30(36-28(22)40)34-20-13-14-31-15-20)32-16-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;;/h3-12,17,20-21,23-25,29,31,42-43H,2,13-16H2,1H3,(H2,32,34,35,36);2*1H