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

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-5-nitro-N-phenethyl-pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-5-nitro-N-phenethyl-pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-5-nitro-N-phenethyl-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-5-nitro-N-phenethylpyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-phenethyl-amine Formula: C18H15ClN4O2S MolecularWeight: 386.8553

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN4O2S/c19-14-6-8-15(9-7-14)26-18-16(23(24)25)17(21-12-22-18)20-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,21,22)