4-(4-methylpiperazin-1-yl)-5-nitro-6-phenylsulfanyl-pyrimidine

Systemtic Name: 4-(4-methylpiperazin-1-yl)-5-nitro-6-phenylsulfanyl-pyrimidine Openeye Name: 4-(4-methylpiperazin-1-yl)-5-nitro-6-phenylsulfanyl-pyrimidine CAS Name: 4-(4-methyl-1-piperazinyl)-5-nitro-6-(phenylthio)pyrimidine IUPAC Name: 4-(4-methylpiperazin-1-yl)-5-nitro-6-phenylsulfanylpyrimidine Traditional Name: 4-(4-methylpiperazino)-5-nitro-6-(phenylthio)pyrimidine Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O2S/c1-18-7-9-19(10-8-18)14-13(20(21)22)15(17-11-16-14)23-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3