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

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

Systemtic Name:6-(4-chlorophenyl)sulfanyl-N-hexadecyl-5-nitro-pyrimidin-4-amine
Openeye Name:6-(4-chlorophenyl)sulfanyl-N-hexadecyl-5-nitro-pyrimidin-4-amine
CAS Name:6-[(4-chlorophenyl)thio]-N-hexadecyl-5-nitro-4-pyrimidinamine
IUPAC Name:6-(4-chlorophenyl)sulfanyl-N-hexadecyl-5-nitropyrimidin-4-amine
Traditional Name:cetyl-[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]amine
Formula: C26H39ClN4O2S
MolecularWeight: 507.13146
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]


InChI

InChI=1S/C26H39ClN4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-25-24(31(32)33)26(30-21-29-25)34-23-18-16-22(27)17-19-23/h16-19,21H,2-15,20H2,1H3,(H,28,29,30)


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