8-(2-bromanyl-5-methoxy-phenyl)sulfanyl-9-pent-4-ynyl-purin-6-amine

Systemtic Name: 8-(2-bromanyl-5-methoxy-phenyl)sulfanyl-9-pent-4-ynyl-purin-6-amine Openeye Name: 8-(2-bromo-5-methoxy-phenyl)sulfanyl-9-pent-4-ynyl-purin-6-amine CAS Name: 8-[(2-bromo-5-methoxyphenyl)thio]-9-pent-4-ynyl-6-purinamine IUPAC Name: 8-(2-bromo-5-methoxyphenyl)sulfanyl-9-pent-4-ynylpurin-6-amine Traditional Name: [8-[(2-bromo-5-methoxy-phenyl)thio]-9-pent-4-ynyl-purin-6-yl]amine Formula: C17H16BrN5OS MolecularWeight: 418.31084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)SC2=NC3=C(N2CCCC#C)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)Br)SC2=NC3=C(N2CCCC#C)N=CN=C3N

InChI

InChI=1S/C17H16BrN5OS/c1-3-4-5-8-23-16-14(15(19)20-10-21-16)22-17(23)25-13-9-11(24-2)6-7-12(13)18/h1,6-7,9-10H,4-5,8H2,2H3,(H2,19,20,21)