5-chloranyl-2,6-dimethyl-N-[[3-methyl-4-[3-(3-nitrothiophen-2-yl)sulfanylpropylsulfanyl]pyridin-2-yl]methyl]pyrimidin-4-amine

Systemtic Name: 5-chloranyl-2,6-dimethyl-N-[[3-methyl-4-[3-(3-nitrothiophen-2-yl)sulfanylpropylsulfanyl]pyridin-2-yl]methyl]pyrimidin-4-amine Openeye Name: 5-chloro-2,6-dimethyl-N-[[3-methyl-4-[3-[(3-nitro-2-thienyl)sulfanyl]propylsulfanyl]-2-pyridyl]methyl]pyrimidin-4-amine CAS Name: 5-chloro-2,6-dimethyl-N-[[3-methyl-4-[3-[(3-nitro-2-thiophenyl)thio]propylthio]-2-pyridinyl]methyl]-4-pyrimidinamine IUPAC Name: 5-chloro-2,6-dimethyl-N-[[3-methyl-4-[3-(3-nitrothiophen-2-yl)sulfanylpropylsulfanyl]pyridin-2-yl]methyl]pyrimidin-4-amine Traditional Name: (5-chloro-2,6-dimethyl-pyrimidin-4-yl)-[[3-methyl-4-[3-[(3-nitro-2-thienyl)thio]propylthio]-2-pyridyl]methyl]amine Formula: C20H22ClN5O2S3 MolecularWeight: 496.06898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CNC2=NC(=NC(=C2Cl)C)C)SCCCSC3=C(C=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CN=C1CNC2=NC(=NC(=C2Cl)C)C)SCCCSC3=C(C=CS3)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN5O2S3/c1-12-15(11-23-19-18(21)13(2)24-14(3)25-19)22-7-5-17(12)29-8-4-9-30-20-16(26(27)28)6-10-31-20/h5-7,10H,4,8-9,11H2,1-3H3,(H,23,24,25)