ethyl 4-[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H18ClN5O4S MolecularWeight: 423.87392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN5O4S/c1-2-27-17(24)22-9-7-21(8-10-22)15-14(23(25)26)16(20-11-19-15)28-13-5-3-12(18)4-6-13/h3-6,11H,2,7-10H2,1H3