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

Systemtic Name: 6-(4-methylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-methylpiperazin-1-yl)-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-N-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (4-methylpiperazino)-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C16H20N6O2S MolecularWeight: 360.434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NN3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NN3CCN(CC3)C

InChI

InChI=1S/C16H20N6O2S/c1-12-3-5-13(6-4-12)25-16-14(22(23)24)15(17-11-18-16)19-21-9-7-20(2)8-10-21/h3-6,11H,7-10H2,1-2H3,(H,17,18,19)