2-[6-(cyclopentylamino)purin-9-yl]-5-(3-pyrimidin-2-ylprop-2-ynyl)oxolane-3,4-diol

Systemtic Name: 2-[6-(cyclopentylamino)purin-9-yl]-5-(3-pyrimidin-2-ylprop-2-ynyl)oxolane-3,4-diol Openeye Name: 2-[6-(cyclopentylamino)purin-9-yl]-5-(3-pyrimidin-2-ylprop-2-ynyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(cyclopentylamino)-9-purinyl]-5-[3-(2-pyrimidinyl)prop-2-ynyl]oxolane-3,4-diol IUPAC Name: 2-[6-(cyclopentylamino)purin-9-yl]-5-(3-pyrimidin-2-ylprop-2-ynyl)oxolane-3,4-diol Traditional Name: 2-[6-(cyclopentylamino)purin-9-yl]-5-[3-(2-pyrimidyl)prop-2-ynyl]tetrahydrofuran-3,4-diol Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CC#CC5=NC=CC=N5)O)O

Isomeric SMILES

C1CCC(C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CC#CC5=NC=CC=N5)O)O

InChI

InChI=1S/C21H23N7O3/c29-17-14(7-3-8-15-22-9-4-10-23-15)31-21(18(17)30)28-12-26-16-19(24-11-25-20(16)28)27-13-5-1-2-6-13/h4,9-14,17-18,21,29-30H,1-2,5-7H2,(H,24,25,27)