9-[(E)-2-(2-chloranyl-6-methyl-phenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)purin-6-amine

Systemtic Name: 9-[(E)-2-(2-chloranyl-6-methyl-phenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)purin-6-amine Openeye Name: 9-[(E)-2-(2-chloro-6-methyl-phenyl)vinyl]-N-(4-dimethylphosphorylphenyl)purin-6-amine CAS Name: 9-[(E)-2-(2-chloro-6-methylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)-6-purinamine IUPAC Name: 9-[(E)-2-(2-chloro-6-methylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)purin-6-amine Traditional Name: [9-[(E)-2-(2-chloro-6-methyl-phenyl)vinyl]purin-6-yl]-(4-dimethylphosphorylphenyl)amine Formula: C22H21ClN5OP MolecularWeight: 437.861801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)C=CN2C=NC3=C2N=CN=C3NC4=CC=C(C=C4)P(=O)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)/C=C/N2C=NC3=C2N=CN=C3NC4=CC=C(C=C4)P(=O)(C)C

InChI

InChI=1S/C22H21ClN5OP/c1-15-5-4-6-19(23)18(15)11-12-28-14-26-20-21(24-13-25-22(20)28)27-16-7-9-17(10-8-16)30(2,3)29/h4-14H,1-3H3,(H,24,25,27)/b12-11+