2-[(3,5-dinitrophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[(3,5-dinitrophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[(3,5-dinitrophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[(3,5-dinitrophenyl)methylthio]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[(3,5-dinitrophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[(3,5-dinitrobenzyl)thio]-1,4,5,6-tetrahydropyrimidine Formula: C11H12N4O4S MolecularWeight: 296.30238

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)SCC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CNC(=NC1)SCC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O4S/c16-14(17)9-4-8(5-10(6-9)15(18)19)7-20-11-12-2-1-3-13-11/h4-6H,1-3,7H2,(H,12,13)