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

Systemtic Name: 8-[2,5-bis(chloranyl)phenyl]sulfanyl-9-pent-4-ynyl-purin-6-amine Openeye Name: 8-(2,5-dichlorophenyl)sulfanyl-9-pent-4-ynyl-purin-6-amine CAS Name: 8-[(2,5-dichlorophenyl)thio]-9-pent-4-ynyl-6-purinamine IUPAC Name: 8-(2,5-dichlorophenyl)sulfanyl-9-pent-4-ynylpurin-6-amine Traditional Name: [8-[(2,5-dichlorophenyl)thio]-9-pent-4-ynyl-purin-6-yl]amine Formula: C16H13Cl2N5S MolecularWeight: 378.27892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13Cl2N5S/c1-2-3-4-7-23-15-13(14(19)20-9-21-15)22-16(23)24-12-8-10(17)5-6-11(12)18/h1,5-6,8-9H,3-4,7H2,(H2,19,20,21)