N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-methyl-N-(1-methyl-4-piperidyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-methyl-N-(1-methyl-4-piperidinyl)-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: methyl-(1-methyl-4-piperidyl)-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCC(CC1)N(C)C2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O2S/c1-20-10-8-13(9-11-20)21(2)16-15(22(23)24)17(19-12-18-16)25-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3