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

Systemtic Name: 2-[2-(3-nitropyridin-1-ium-2-yl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-(3-nitropyridin-1-ium-2-yl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(3-nitro-2-pyridin-1-iumyl)thio]phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-(3-nitropyridin-1-ium-2-yl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(3-nitropyridin-1-ium-2-yl)thio]phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C15H15N4O2S+ MolecularWeight: 315.3702

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)C2=CC=CC=C2SC3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CNC(=NC1)C2=CC=CC=C2SC3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O2S/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)/p+1