ethyl 4-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-(phenylthio)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-(phenylthio)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4S/c1-2-26-17(23)21-10-8-20(9-11-21)15-14(22(24)25)16(19-12-18-15)27-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3