N-[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine

Systemtic Name: N-[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine Openeye Name: N-[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-5-methyl-isoxazol-3-amine CAS Name: N-[6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinyl]-5-methyl-3-isoxazolamine IUPAC Name: N-[6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C14H10ClN5O3S MolecularWeight: 363.7789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H10ClN5O3S/c1-8-6-11(19-23-8)18-13-12(20(21)22)14(17-7-16-13)24-10-4-2-9(15)3-5-10/h2-7H,1H3,(H,16,17,18,19)