2-(2,4-dinitrophenyl)sulfanyl-1-methyl-5,6-dihydro-4H-pyrimidine hydrochloride

Systemtic Name: 2-(2,4-dinitrophenyl)sulfanyl-1-methyl-5,6-dihydro-4H-pyrimidine hydrochloride Openeye Name: 2-(2,4-dinitrophenyl)sulfanyl-1-methyl-5,6-dihydro-4H-pyrimidine hydrochloride CAS Name: 2-[(2,4-dinitrophenyl)thio]-1-methyl-5,6-dihydro-4H-pyrimidine hydrochloride IUPAC Name: 2-(2,4-dinitrophenyl)sulfanyl-1-methyl-5,6-dihydro-4H-pyrimidine hydrochloride Traditional Name: 2-[(2,4-dinitrophenyl)thio]-1-methyl-5,6-dihydro-4H-pyrimidine hydrochloride Formula: C11H13ClN4O4S MolecularWeight: 332.76332

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].Cl

Isomeric SMILES

CN1CCCN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].Cl

InChI

InChI=1S/C11H12N4O4S.ClH/c1-13-6-2-5-12-11(13)20-10-4-3-8(14(16)17)7-9(10)15(18)19;/h3-4,7H,2,5-6H2,1H3;1H