4-iodanyl-N-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]butanamide

Systemtic Name: 4-iodanyl-N-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]butanamide Openeye Name: 4-iodo-N-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]butanamide CAS Name: 4-iodo-N-[2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]thio]phenyl]butanamide IUPAC Name: 4-iodo-N-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]butanamide Traditional Name: 4-iodo-N-[2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]thio]phenyl]butyramide Formula: C22H21IN6OS MolecularWeight: 544.41121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)SC4=CC=CC=C4NC(=O)CCCI

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)SC4=CC=CC=C4NC(=O)CCCI

InChI

InChI=1S/C22H21IN6OS/c1-14-13-19(29-28-14)26-21-15-7-2-3-8-16(15)25-22(27-21)31-18-10-5-4-9-17(18)24-20(30)11-6-12-23/h2-5,7-10,13H,6,11-12H2,1H3,(H,24,30)(H2,25,26,27,28,29)