6-(4-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-N-(2-furylmethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-N-(2-furanylmethyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amine Formula: C15H11ClN4O3S MolecularWeight: 362.79084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClN4O3S/c16-10-3-5-12(6-4-10)24-15-13(20(21)22)14(18-9-19-15)17-8-11-2-1-7-23-11/h1-7,9H,8H2,(H,17,18,19)