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

Systemtic Name: 4-(4-methylphenyl)sulfanyl-5-nitro-6-piperidin-1-yl-pyrimidine Openeye Name: 5-nitro-4-(1-piperidyl)-6-(p-tolylsulfanyl)pyrimidine CAS Name: 4-[(4-methylphenyl)thio]-5-nitro-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-(4-methylphenyl)sulfanyl-5-nitro-6-piperidin-1-ylpyrimidine Traditional Name: 5-nitro-4-piperidino-6-(p-tolylthio)pyrimidine Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C16H18N4O2S/c1-12-5-7-13(8-6-12)23-16-14(20(21)22)15(17-11-18-16)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3