2-[(2-chloranyl-4-nitro-phenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine hydrochloride

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine hydrochloride Openeye Name: 2-[(2-chloro-4-nitro-phenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine hydrochloride CAS Name: 2-[(2-chloro-4-nitrophenyl)methylthio]-1,4,5,6-tetrahydropyrimidine hydrochloride IUPAC Name: 2-[(2-chloro-4-nitrophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine hydrochloride Traditional Name: 2-[(2-chloro-4-nitro-benzyl)thio]-1,4,5,6-tetrahydropyrimidine hydrochloride Formula: C11H13Cl2N3O2S MolecularWeight: 322.21082

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)SCC2=C(C=C(C=C2)[N+](=O)[O-])Cl.Cl

Isomeric SMILES

C1CNC(=NC1)SCC2=C(C=C(C=C2)[N+](=O)[O-])Cl.Cl

InChI

InChI=1S/C11H12ClN3O2S.ClH/c12-10-6-9(15(16)17)3-2-8(10)7-18-11-13-4-1-5-14-11;/h2-3,6H,1,4-5,7H2,(H,13,14);1H