4-(4-methylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-(4-methylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(4-methylpiperazin-1-yl)-5-nitro-6-(p-tolylsulfanyl)pyrimidine CAS Name: 4-[(4-methylphenyl)thio]-6-(4-methyl-1-piperazinyl)-5-nitropyrimidine IUPAC Name: 4-(4-methylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-methylpiperazino)-5-nitro-6-(p-tolylthio)pyrimidine Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C16H19N5O2S/c1-12-3-5-13(6-4-12)24-16-14(21(22)23)15(17-11-18-16)20-9-7-19(2)8-10-20/h3-6,11H,7-10H2,1-2H3