6-(2-azanyl-6-chloranyl-purin-9-yl)-2-methyl-hex-2-ene-3,4-diol

Systemtic Name: 6-(2-azanyl-6-chloranyl-purin-9-yl)-2-methyl-hex-2-ene-3,4-diol Openeye Name: 6-(2-amino-6-chloro-purin-9-yl)-2-methyl-hex-2-ene-3,4-diol CAS Name: 6-(2-amino-6-chloro-9-purinyl)-2-methyl-2-hexene-3,4-diol IUPAC Name: 6-(2-amino-6-chloropurin-9-yl)-2-methylhex-2-ene-3,4-diol Traditional Name: 6-(2-amino-6-chloro-purin-9-yl)-2-methyl-hex-2-ene-3,4-diol Formula: C12H16ClN5O2 MolecularWeight: 297.74074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(CCN1C=NC2=C1N=C(N=C2Cl)N)O)O)C

Isomeric SMILES

CC(=C(C(CCN1C=NC2=C1N=C(N=C2Cl)N)O)O)C

InChI

InChI=1S/C12H16ClN5O2/c1-6(2)9(20)7(19)3-4-18-5-15-8-10(13)16-12(14)17-11(8)18/h5,7,19-20H,3-4H2,1-2H3,(H2,14,16,17)