pyrimidin-2-yl-[4-[[(2S)-2-quinazolin-4-ylsulfanylpropanoyl]amino]phenyl]sulfonyl-azanide

Systemtic Name: pyrimidin-2-yl-[4-[[(2S)-2-quinazolin-4-ylsulfanylpropanoyl]amino]phenyl]sulfonyl-azanide Openeye Name: pyrimidin-2-yl-[4-[[(2S)-2-quinazolin-4-ylsulfanylpropanoyl]amino]phenyl]sulfonyl-azanide CAS Name: [4-[[(2S)-1-oxo-2-(4-quinazolinylthio)propyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: pyrimidin-2-yl-[4-[[(2S)-2-quinazolin-4-ylsulfanylpropanoyl]amino]phenyl]sulfonylazanide Traditional Name: 2-pyrimidyl-[4-[[(2S)-2-(quinazolin-4-ylthio)propanoyl]amino]phenyl]sulfonyl-azanide Formula: C21H17N6O3S2- MolecularWeight: 465.52808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC=CC=N2)SC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC=CC=N2)SC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C21H18N6O3S2/c1-14(31-20-17-5-2-3-6-18(17)24-13-25-20)19(28)26-15-7-9-16(10-8-15)32(29,30)27-21-22-11-4-12-23-21/h2-14H,1H3,(H2,22,23,26,27,28)/p-1/t14-/m0/s1