N-(4-chlorophenyl)-6-morpholin-4-yl-5-nitro-2-propylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(4-chlorophenyl)-6-morpholin-4-yl-5-nitro-2-propylsulfanyl-pyrimidin-4-amine Openeye Name: N-(4-chlorophenyl)-6-morpholino-5-nitro-2-propylsulfanyl-pyrimidin-4-amine CAS Name: N-(4-chlorophenyl)-6-(4-morpholinyl)-5-nitro-2-(propylthio)-4-pyrimidinamine IUPAC Name: N-(4-chlorophenyl)-6-morpholin-4-yl-5-nitro-2-propylsulfanylpyrimidin-4-amine Traditional Name: (4-chlorophenyl)-[6-morpholino-5-nitro-2-(propylthio)pyrimidin-4-yl]amine Formula: C17H20ClN5O3S MolecularWeight: 409.8904

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C(C(=N1)NC2=CC=C(C=C2)Cl)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCCSC1=NC(=C(C(=N1)NC2=CC=C(C=C2)Cl)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C17H20ClN5O3S/c1-2-11-27-17-20-15(19-13-5-3-12(18)4-6-13)14(23(24)25)16(21-17)22-7-9-26-10-8-22/h3-6H,2,7-11H2,1H3,(H,19,20,21)