6-[2,4-bis(chloranyl)-6-methyl-phenyl]-8-ethyl-9-[(E)-pent-2-en-3-yl]purine

Systemtic Name: 6-[2,4-bis(chloranyl)-6-methyl-phenyl]-8-ethyl-9-[(E)-pent-2-en-3-yl]purine Openeye Name: 6-(2,4-dichloro-6-methyl-phenyl)-8-ethyl-9-[(E)-1-ethylprop-1-enyl]purine CAS Name: 6-(2,4-dichloro-6-methylphenyl)-8-ethyl-9-[(E)-pent-2-en-3-yl]purine IUPAC Name: 6-(2,4-dichloro-6-methylphenyl)-8-ethyl-9-[(E)-pent-2-en-3-yl]purine Traditional Name: 6-(2,4-dichloro-6-methyl-phenyl)-8-ethyl-9-[(E)-1-ethylprop-1-enyl]purine Formula: C19H20Cl2N4 MolecularWeight: 375.2949

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N=CN=C2N1C(=CC)CC)C3=C(C=C(C=C3C)Cl)Cl

Isomeric SMILES

CCC1=NC2=C(N=CN=C2N1/C(=C/C)/CC)C3=C(C=C(C=C3C)Cl)Cl

InChI

InChI=1S/C19H20Cl2N4/c1-5-13(6-2)25-15(7-3)24-18-17(22-10-23-19(18)25)16-11(4)8-12(20)9-14(16)21/h5,8-10H,6-7H2,1-4H3/b13-5+