4-chloranyl-6-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine

Systemtic Name: 4-chloranyl-6-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine Openeye Name: 4-chloro-6-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine CAS Name: 4-chloro-6-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-2-pyrimidinamine IUPAC Name: 4-chloro-6-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine Traditional Name: [4-chloro-6-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]pyrimidin-2-yl]amine Formula: C15H17ClN6O4S MolecularWeight: 412.85128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=CC(=NC(=N3)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=CC(=NC(=N3)N)Cl

InChI

InChI=1S/C15H17ClN6O4S/c1-10-2-3-11(22(23)24)8-12(10)27(25,26)21-6-4-20(5-7-21)14-9-13(16)18-15(17)19-14/h2-3,8-9H,4-7H2,1H3,(H2,17,18,19)