N-butyl-6-(4-chlorophenyl)sulfanyl-N-methyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-butyl-6-(4-chlorophenyl)sulfanyl-N-methyl-5-nitro-pyrimidin-4-amine Openeye Name: N-butyl-6-(4-chlorophenyl)sulfanyl-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: N-butyl-6-[(4-chlorophenyl)thio]-N-methyl-5-nitro-4-pyrimidinamine IUPAC Name: N-butyl-6-(4-chlorophenyl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine Traditional Name: butyl-[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C15H17ClN4O2S MolecularWeight: 352.83908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C)C1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H17ClN4O2S/c1-3-4-9-19(2)14-13(20(21)22)15(18-10-17-14)23-12-7-5-11(16)6-8-12/h5-8,10H,3-4,9H2,1-2H3