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

Systemtic Name: N-[4-[(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)amino]phenyl]ethanamide Openeye Name: N-[4-[(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)amino]phenyl]acetamide CAS Name: N-[4-[[5-nitro-6-(phenylthio)-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[(5-nitro-6-phenylsulfanylpyrimidin-4-yl)amino]phenyl]acetamide Traditional Name: N-[4-[[5-nitro-6-(phenylthio)pyrimidin-4-yl]amino]phenyl]acetamide Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O3S/c1-12(24)21-13-7-9-14(10-8-13)22-17-16(23(25)26)18(20-11-19-17)27-15-5-3-2-4-6-15/h2-11H,1H3,(H,21,24)(H,19,20,22)