1-[5-azanyl-7-chloranyl-3-(cyclohexylamino)-2-thiophen-2-yl-imidazo[1,2-a]pyrimidin-4-ium-1-yl]ethanone

Systemtic Name: 1-[5-azanyl-7-chloranyl-3-(cyclohexylamino)-2-thiophen-2-yl-imidazo[1,2-a]pyrimidin-4-ium-1-yl]ethanone Openeye Name: 1-[5-amino-7-chloro-3-(cyclohexylamino)-2-(2-thienyl)imidazo[1,2-a]pyrimidin-4-ium-1-yl]ethanone CAS Name: 1-[5-amino-7-chloro-3-(cyclohexylamino)-2-thiophen-2-yl-1-imidazo[1,2-a]pyrimidin-4-iumyl]ethanone IUPAC Name: 1-[5-amino-7-chloro-3-(cyclohexylamino)-2-thiophen-2-ylimidazo[1,2-a]pyrimidin-4-ium-1-yl]ethanone Traditional Name: 1-[5-amino-7-chloro-3-(cyclohexylamino)-2-(2-thienyl)imidazo[1,2-a]pyrimidin-4-ium-1-yl]ethanone Formula: C18H21ClN5OS+ MolecularWeight: 390.91024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=C([N+]2=C(C=C(N=C12)Cl)N)NC3CCCCC3)C4=CC=CS4

Isomeric SMILES

CC(=O)N1C(=C([N+]2=C(C=C(N=C12)Cl)N)NC3CCCCC3)C4=CC=CS4

InChI

InChI=1S/C18H20ClN5OS/c1-11(25)23-16(13-8-5-9-26-13)17(21-12-6-3-2-4-7-12)24-15(20)10-14(19)22-18(23)24/h5,8-10,12,20-21H,2-4,6-7H2,1H3/p+1