2-[2-chloranyl-6-(pentan-3-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[2-chloranyl-6-(pentan-3-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[2-chloro-6-(1-ethylpropylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-chloro-6-(pentan-3-ylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[2-chloro-6-(pentan-3-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[2-chloro-6-(1-ethylpropylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C15H22ClN5O4 MolecularWeight: 371.81928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)Cl

Isomeric SMILES

CCC(CC)NC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)Cl

InChI

InChI=1S/C15H22ClN5O4/c1-3-7(4-2)18-12-9-13(20-15(16)19-12)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,3-5H2,1-2H3,(H,18,19,20)