[(1S)-2-[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(2-amino-6-chloro-pyrimidin-4-yl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[(2-amino-6-chloro-4-pyrimidinyl)amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(2-amino-6-chloro-pyrimidin-4-yl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C12H17ClN5S+ MolecularWeight: 298.81488

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=CC(=NC(=N1)N)Cl)C2=CSC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC1=CC(=NC(=N1)N)Cl)C2=CSC=C2

InChI

InChI=1S/C12H16ClN5S/c1-18(2)9(8-3-4-19-7-8)6-15-11-5-10(13)16-12(14)17-11/h3-5,7,9H,6H2,1-2H3,(H3,14,15,16,17)/p+1/t9-/m1/s1