6-(4-methylphenyl)sulfanyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: benzyl-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C18H16N4O2S/c1-13-7-9-15(10-8-13)25-18-16(22(23)24)17(20-12-21-18)19-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,20,21)