1-[4-(6-azanyl-9-pent-4-ynyl-purin-8-yl)sulfanylphenyl]ethanone

Systemtic Name: 1-[4-(6-azanyl-9-pent-4-ynyl-purin-8-yl)sulfanylphenyl]ethanone Openeye Name: 1-[4-(6-amino-9-pent-4-ynyl-purin-8-yl)sulfanylphenyl]ethanone CAS Name: 1-[4-[(6-amino-9-pent-4-ynyl-8-purinyl)thio]phenyl]ethanone IUPAC Name: 1-[4-(6-amino-9-pent-4-ynylpurin-8-yl)sulfanylphenyl]ethanone Traditional Name: 1-[4-[(6-amino-9-pent-4-ynyl-purin-8-yl)thio]phenyl]ethanone Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5OS/c1-3-4-5-10-23-17-15(16(19)20-11-21-17)22-18(23)25-14-8-6-13(7-9-14)12(2)24/h1,6-9,11H,4-5,10H2,2H3,(H2,19,20,21)