4-(4-chlorophenyl)sulfanyl-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(4-chlorophenyl)sulfanyl-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4-[(4-chlorophenyl)thio]-6-(4-ethyl-1-piperazinyl)-5-nitropyrimidine IUPAC Name: 4-(4-chlorophenyl)sulfanyl-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4-[(4-chlorophenyl)thio]-6-(4-ethylpiperazino)-5-nitro-pyrimidine Formula: C16H18ClN5O2S MolecularWeight: 379.86442

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN5O2S/c1-2-20-7-9-21(10-8-20)15-14(22(23)24)16(19-11-18-15)25-13-5-3-12(17)4-6-13/h3-6,11H,2,7-10H2,1H3