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

Systemtic Name: 2-[2-[2-(1-methylimidazol-4-yl)ethylamino]-6-[(phenylmethyl)amino]purin-9-yl]-5-(2-methyl-1,2,3,4-tetrazol-5-yl)oxolane-3,4-diol methanoate Openeye Name: 2-[6-(benzylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyltetrazol-5-yl)tetrahydrofuran-3,4-diol formate CAS Name: 2-[2-[2-(1-methyl-4-imidazolyl)ethylamino]-6-[(phenylmethyl)amino]-9-purinyl]-5-(2-methyl-5-tetrazolyl)oxolane-3,4-diol formate IUPAC Name: 2-[6-(benzylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol formate Traditional Name: 2-[6-(benzylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyltetrazol-5-yl)tetrahydrofuran-3,4-diol formate Formula: C25H29N12O5- MolecularWeight: 577.57516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)CCNC2=NC3=C(C(=N2)NCC4=CC=CC=C4)N=CN3C5C(C(C(O5)C6=NN(N=N6)C)O)O.C(=O)[O-]

Isomeric SMILES

CN1C=C(N=C1)CCNC2=NC3=C(C(=N2)NCC4=CC=CC=C4)N=CN3C5C(C(C(O5)C6=NN(N=N6)C)O)O.C(=O)[O-]

InChI

InChI=1S/C24H28N12O3.CH2O2/c1-34-11-15(27-12-34)8-9-25-24-29-20(26-10-14-6-4-3-5-7-14)16-22(30-24)36(13-28-16)23-18(38)17(37)19(39-23)21-31-33-35(2)32-21;2-1-3/h3-7,11-13,17-19,23,37-38H,8-10H2,1-2H3,(H2,25,26,29,30);1H,(H,2,3)/p-1