3-iodanyl-N-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylphenyl]pentanamide

Systemtic Name: 3-iodanyl-N-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylphenyl]pentanamide Openeye Name: 3-iodo-N-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylphenyl]pentanamide CAS Name: 3-iodo-N-[2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenyl-2-pyrimidinyl]thio]phenyl]pentanamide IUPAC Name: 3-iodo-N-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanylphenyl]pentanamide Traditional Name: 3-iodo-N-[2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenyl-pyrimidin-2-yl]thio]phenyl]valeramide Formula: C25H25IN6OS MolecularWeight: 584.47507

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)NC1=CC=CC=C1SC2=NC(=CC(=N2)NC3=NNC(=C3)C)C4=CC=CC=C4)I

Isomeric SMILES

CCC(CC(=O)NC1=CC=CC=C1SC2=NC(=CC(=N2)NC3=NNC(=C3)C)C4=CC=CC=C4)I

InChI

InChI=1S/C25H25IN6OS/c1-3-18(26)14-24(33)27-19-11-7-8-12-21(19)34-25-28-20(17-9-5-4-6-10-17)15-22(30-25)29-23-13-16(2)31-32-23/h4-13,15,18H,3,14H2,1-2H3,(H,27,33)(H2,28,29,30,31,32)