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

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: benzyl-[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]amine Formula: C17H13ClN4O2S MolecularWeight: 372.82872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O2S/c18-13-6-8-14(9-7-13)25-17-15(22(23)24)16(20-11-21-17)19-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,20,21)