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

Systemtic Name: 2-(2-ethyl-1,2,3,4-tetrazol-5-yl)-5-[2-[2-(1-methylimidazol-4-yl)ethylamino]-6-[(phenylmethyl)amino]purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[6-(benzylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-ethyltetrazol-5-yl)tetrahydrofuran-3,4-diol CAS Name: 2-(2-ethyl-5-tetrazolyl)-5-[2-[2-(1-methyl-4-imidazolyl)ethylamino]-6-[(phenylmethyl)amino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-[6-(benzylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-ethyltetrazol-5-yl)oxolane-3,4-diol Traditional Name: 2-[6-(benzylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-ethyltetrazol-5-yl)tetrahydrofuran-3,4-diol Formula: C25H30N12O3 MolecularWeight: 546.5843

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Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(N=N1)C2C(C(C(O2)N3C=NC4=C3N=C(N=C4NCC5=CC=CC=C5)NCCC6=CN(C=N6)C)O)O

Isomeric SMILES

CCN1N=C(N=N1)C2C(C(C(O2)N3C=NC4=C3N=C(N=C4NCC5=CC=CC=C5)NCCC6=CN(C=N6)C)O)O

InChI

InChI=1S/C25H30N12O3/c1-3-37-33-22(32-34-37)20-18(38)19(39)24(40-20)36-14-29-17-21(27-11-15-7-5-4-6-8-15)30-25(31-23(17)36)26-10-9-16-12-35(2)13-28-16/h4-8,12-14,18-20,24,38-39H,3,9-11H2,1-2H3,(H2,26,27,30,31)