8-(4-chlorophenyl)sulfanyl-9-pent-4-ynyl-purin-6-amine

Systemtic Name: 8-(4-chlorophenyl)sulfanyl-9-pent-4-ynyl-purin-6-amine Openeye Name: 8-(4-chlorophenyl)sulfanyl-9-pent-4-ynyl-purin-6-amine CAS Name: 8-[(4-chlorophenyl)thio]-9-pent-4-ynyl-6-purinamine IUPAC Name: 8-(4-chlorophenyl)sulfanyl-9-pent-4-ynylpurin-6-amine Traditional Name: [8-[(4-chlorophenyl)thio]-9-pent-4-ynyl-purin-6-yl]amine Formula: C16H14ClN5S MolecularWeight: 343.83386

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=CC=C(C=C3)Cl

Isomeric SMILES

C#CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN5S/c1-2-3-4-9-22-15-13(14(18)19-10-20-15)21-16(22)23-12-7-5-11(17)6-8-12/h1,5-8,10H,3-4,9H2,(H2,18,19,20)