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

Systemtic Name: N-methyl-6-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-methyl-N-(1-methyl-4-piperidyl)-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-methyl-6-[(4-methylphenyl)thio]-N-(1-methyl-4-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-methyl-6-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine Traditional Name: methyl-(1-methyl-4-piperidyl)-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N(C)C3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N(C)C3CCN(CC3)C

InChI

InChI=1S/C18H23N5O2S/c1-13-4-6-15(7-5-13)26-18-16(23(24)25)17(19-12-20-18)22(3)14-8-10-21(2)11-9-14/h4-7,12,14H,8-11H2,1-3H3