N-(4-methylpiperazin-1-yl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(4-methylpiperazin-1-yl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-(4-methylpiperazin-1-yl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-(4-methyl-1-piperazinyl)-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-(4-methylpiperazin-1-yl)-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: (4-methylpiperazino)-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C15H18N6O2S MolecularWeight: 346.40742

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O2S/c1-19-7-9-20(10-8-19)18-14-13(21(22)23)15(17-11-16-14)24-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17,18)