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

Systemtic Name: 4-(4-methylpiperidin-1-yl)-5-nitro-6-phenylsulfanyl-pyrimidine Openeye Name: 4-(4-methyl-1-piperidyl)-5-nitro-6-phenylsulfanyl-pyrimidine CAS Name: 4-(4-methyl-1-piperidinyl)-5-nitro-6-(phenylthio)pyrimidine IUPAC Name: 4-(4-methylpiperidin-1-yl)-5-nitro-6-phenylsulfanylpyrimidine Traditional Name: 4-(4-methylpiperidino)-5-nitro-6-(phenylthio)pyrimidine Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O2S/c1-12-7-9-19(10-8-12)15-14(20(21)22)16(18-11-17-15)23-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3