[2-(6-azanyl-9-pent-4-ynyl-purin-8-yl)sulfanylphenyl]methanol

Systemtic Name: [2-(6-azanyl-9-pent-4-ynyl-purin-8-yl)sulfanylphenyl]methanol Openeye Name: [2-(6-amino-9-pent-4-ynyl-purin-8-yl)sulfanylphenyl]methanol CAS Name: [2-[(6-amino-9-pent-4-ynyl-8-purinyl)thio]phenyl]methanol IUPAC Name: [2-(6-amino-9-pent-4-ynylpurin-8-yl)sulfanylphenyl]methanol Traditional Name: [2-[(6-amino-9-pent-4-ynyl-purin-8-yl)thio]phenyl]methanol Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=CC=CC=C3CO

Isomeric SMILES

C#CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=CC=CC=C3CO

InChI

InChI=1S/C17H17N5OS/c1-2-3-6-9-22-16-14(15(18)19-11-20-16)21-17(22)24-13-8-5-4-7-12(13)10-23/h1,4-5,7-8,11,23H,3,6,9-10H2,(H2,18,19,20)