6-(4-chlorophenyl)sulfanyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-5-nitro-N-(3-pyridylmethyl)pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-5-nitro-N-(3-pyridinylmethyl)-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C16H12ClN5O2S MolecularWeight: 373.81678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN5O2S/c17-12-3-5-13(6-4-12)25-16-14(22(23)24)15(20-10-21-16)19-9-11-2-1-7-18-8-11/h1-8,10H,9H2,(H,19,20,21)