9-pent-4-ynyl-8-[2,4,5-tris(chloranyl)phenyl]sulfanyl-purin-6-amine

Systemtic Name: 9-pent-4-ynyl-8-[2,4,5-tris(chloranyl)phenyl]sulfanyl-purin-6-amine Openeye Name: 9-pent-4-ynyl-8-(2,4,5-trichlorophenyl)sulfanyl-purin-6-amine CAS Name: 9-pent-4-ynyl-8-[(2,4,5-trichlorophenyl)thio]-6-purinamine IUPAC Name: 9-pent-4-ynyl-8-(2,4,5-trichlorophenyl)sulfanylpurin-6-amine Traditional Name: [9-pent-4-ynyl-8-[(2,4,5-trichlorophenyl)thio]purin-6-yl]amine Formula: C16H12Cl3N5S MolecularWeight: 412.72398

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=CC(=C(C=C3Cl)Cl)Cl

Isomeric SMILES

C#CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=CC(=C(C=C3Cl)Cl)Cl

InChI

InChI=1S/C16H12Cl3N5S/c1-2-3-4-5-24-15-13(14(20)21-8-22-15)23-16(24)25-12-7-10(18)9(17)6-11(12)19/h1,6-8H,3-5H2,(H2,20,21,22)