4-(4-chlorophenyl)sulfanyl-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(4-chlorophenyl)sulfanyl-6-(3-methyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-[(4-chlorophenyl)thio]-6-(3-methyl-1-piperidinyl)-5-nitropyrimidine IUPAC Name: 4-(4-chlorophenyl)sulfanyl-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-[(4-chlorophenyl)thio]-6-(3-methylpiperidino)-5-nitro-pyrimidine Formula: C16H17ClN4O2S MolecularWeight: 364.84978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN4O2S/c1-11-3-2-8-20(9-11)15-14(21(22)23)16(19-10-18-15)24-13-6-4-12(17)5-7-13/h4-7,10-11H,2-3,8-9H2,1H3