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

Systemtic Name: 2-[2-chloranyl-6-(4-phenylbutan-2-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[2-chloro-6-[(1-methyl-3-phenyl-propyl)amino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-chloro-6-(4-phenylbutan-2-ylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[2-chloro-6-(4-phenylbutan-2-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[2-chloro-6-[(1-methyl-3-phenyl-propyl)amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C20H24ClN5O4 MolecularWeight: 433.88866

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)Cl

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)Cl

InChI

InChI=1S/C20H24ClN5O4/c1-11(7-8-12-5-3-2-4-6-12)23-17-14-18(25-20(21)24-17)26(10-22-14)19-16(29)15(28)13(9-27)30-19/h2-6,10-11,13,15-16,19,27-29H,7-9H2,1H3,(H,23,24,25)