4-(2-azanyl-6-chloranyl-purin-9-yl)but-2-yn-1-ol

Systemtic Name: 4-(2-azanyl-6-chloranyl-purin-9-yl)but-2-yn-1-ol Openeye Name: 4-(2-amino-6-chloro-purin-9-yl)but-2-yn-1-ol CAS Name: 4-(2-amino-6-chloro-9-purinyl)-2-butyn-1-ol IUPAC Name: 4-(2-amino-6-chloropurin-9-yl)but-2-yn-1-ol Traditional Name: 4-(2-amino-6-chloro-purin-9-yl)but-2-yn-1-ol Formula: C9H8ClN5O MolecularWeight: 237.64572

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC#CCO)N=C(N=C2Cl)N

Isomeric SMILES

C1=NC2=C(N1CC#CCO)N=C(N=C2Cl)N

InChI

InChI=1S/C9H8ClN5O/c10-7-6-8(14-9(11)13-7)15(5-12-6)3-1-2-4-16/h5,16H,3-4H2,(H2,11,13,14)