2-[6-[[(3S)-1-(6-chloranylpyrimidin-4-yl)pyrrolidin-3-yl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-[[(3S)-1-(6-chloranylpyrimidin-4-yl)pyrrolidin-3-yl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-[[(3S)-1-(6-chloropyrimidin-4-yl)pyrrolidin-3-yl]amino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-[[(3S)-1-(6-chloro-4-pyrimidinyl)-3-pyrrolidinyl]amino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-[[(3S)-1-(6-chloropyrimidin-4-yl)pyrrolidin-3-yl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-[[(3S)-1-(6-chloropyrimidin-4-yl)pyrrolidin-3-yl]amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H21ClN8O4 MolecularWeight: 448.86354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)C5=CC(=NC=N5)Cl

Isomeric SMILES

C1CN(C[C@H]1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)C5=CC(=NC=N5)Cl

InChI

InChI=1S/C18H21ClN8O4/c19-11-3-12(21-6-20-11)26-2-1-9(4-26)25-16-13-17(23-7-22-16)27(8-24-13)18-15(30)14(29)10(5-28)31-18/h3,6-10,14-15,18,28-30H,1-2,4-5H2,(H,22,23,25)/t9-,10?,14?,15?,18?/m0/s1