2-[6-[ethyl(propyl)amino]-2-[(phenylmethyl)-pyrrolidin-3-yl-amino]purin-9-yl]-5-(2-ethyl-1,2,3,4-tetrazol-5-yl)oxolane-3,4-diol

Systemtic Name: 2-[6-[ethyl(propyl)amino]-2-[(phenylmethyl)-pyrrolidin-3-yl-amino]purin-9-yl]-5-(2-ethyl-1,2,3,4-tetrazol-5-yl)oxolane-3,4-diol Openeye Name: 2-[2-[benzyl(pyrrolidin-3-yl)amino]-6-[ethyl(propyl)amino]purin-9-yl]-5-(2-ethyltetrazol-5-yl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-[ethyl(propyl)amino]-2-[(phenylmethyl)-(3-pyrrolidinyl)amino]-9-purinyl]-5-(2-ethyl-5-tetrazolyl)oxolane-3,4-diol IUPAC Name: 2-[2-[benzyl(pyrrolidin-3-yl)amino]-6-[ethyl(propyl)amino]purin-9-yl]-5-(2-ethyltetrazol-5-yl)oxolane-3,4-diol Traditional Name: 2-[2-[benzyl(pyrrolidin-3-yl)amino]-6-[ethyl(propyl)amino]purin-9-yl]-5-(2-ethyltetrazol-5-yl)tetrahydrofuran-3,4-diol Formula: C28H39N11O3 MolecularWeight: 577.68116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC)C1=NC(=NC2=C1N=CN2C3C(C(C(O3)C4=NN(N=N4)CC)O)O)N(CC5=CC=CC=C5)C6CCNC6

Isomeric SMILES

CCCN(CC)C1=NC(=NC2=C1N=CN2C3C(C(C(O3)C4=NN(N=N4)CC)O)O)N(CC5=CC=CC=C5)C6CCNC6

InChI

InChI=1S/C28H39N11O3/c1-4-14-36(5-2)25-20-26(32-28(31-25)37(19-12-13-29-15-19)16-18-10-8-7-9-11-18)38(17-30-20)27-22(41)21(40)23(42-27)24-33-35-39(6-3)34-24/h7-11,17,19,21-23,27,29,40-41H,4-6,12-16H2,1-3H3