2-[2-(3-nitropyridin-2-yl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidine hydrochloride

Systemtic Name: 2-[2-(3-nitropyridin-2-yl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidine hydrochloride Openeye Name: 2-[2-[(3-nitro-2-pyridyl)sulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine hydrochloride CAS Name: 2-[2-[(3-nitro-2-pyridinyl)thio]phenyl]-1,4,5,6-tetrahydropyrimidine hydrochloride IUPAC Name: 2-[2-(3-nitropyridin-2-yl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidine hydrochloride Traditional Name: 2-[2-[(3-nitro-2-pyridyl)thio]phenyl]-1,4,5,6-tetrahydropyrimidine hydrochloride Formula: C15H15ClN4O2S MolecularWeight: 350.8232

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)C2=CC=CC=C2SC3=C(C=CC=N3)[N+](=O)[O-].Cl

Isomeric SMILES

C1CNC(=NC1)C2=CC=CC=C2SC3=C(C=CC=N3)[N+](=O)[O-].Cl

InChI

InChI=1S/C15H14N4O2S.ClH/c20-19(21)12-6-3-8-18-15(12)22-13-7-2-1-5-11(13)14-16-9-4-10-17-14;/h1-3,5-8H,4,9-10H2,(H,16,17);1H