N-[4-[[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amino]phenyl]acetamide Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C19H17N5O3S/c1-12-3-9-16(10-4-12)28-19-17(24(26)27)18(20-11-21-19)23-15-7-5-14(6-8-15)22-13(2)25/h3-11H,1-2H3,(H,22,25)(H,20,21,23)