6-(4-methylphenyl)sulfanyl-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine

Systemtic Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine Openeye Name: N-benzyl-5-nitro-6-(p-tolylsulfanyl)-N-(2-pyridyl)pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-5-nitro-N-(phenylmethyl)-N-(2-pyridinyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(4-methylphenyl)sulfanyl-5-nitro-N-pyridin-2-ylpyrimidin-4-amine Traditional Name: benzyl-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]-(2-pyridyl)amine Formula: C23H19N5O2S MolecularWeight: 429.49426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N(CC3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N(CC3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C23H19N5O2S/c1-17-10-12-19(13-11-17)31-23-21(28(29)30)22(25-16-26-23)27(20-9-5-6-14-24-20)15-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3