4-chloranyl-6-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidin-2-amine

Systemtic Name: 4-chloranyl-6-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidin-2-amine Openeye Name: 4-chloro-6-[4-[(5-phenyl-2-thienyl)methyl]piperazin-4-ium-1-yl]pyrimidin-2-amine CAS Name: 4-chloro-6-[4-[(5-phenyl-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-pyrimidinamine IUPAC Name: 4-chloro-6-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidin-2-amine Traditional Name: [4-chloro-6-[4-[(5-phenyl-2-thienyl)methyl]piperazin-4-ium-1-yl]pyrimidin-2-yl]amine Formula: C19H21ClN5S+ MolecularWeight: 386.92154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3)C4=CC(=NC(=N4)N)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3)C4=CC(=NC(=N4)N)Cl

InChI

InChI=1S/C19H20ClN5S/c20-17-12-18(23-19(21)22-17)25-10-8-24(9-11-25)13-15-6-7-16(26-15)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,21,22,23)/p+1