N-[4-[[4-(ethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-3-iodanyl-benzamide

Systemtic Name: N-[4-[[4-(ethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-3-iodanyl-benzamide Openeye Name: N-[4-[[4-(ethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-3-iodo-benzamide CAS Name: N-[4-[[4-(ethylamino)-6-methyl-2-pyrimidinyl]amino]phenyl]-3-iodobenzamide IUPAC Name: N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-iodobenzamide Traditional Name: N-[4-[[4-(ethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-3-iodo-benzamide Formula: C20H20IN5O MolecularWeight: 473.31017

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=C1)C)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

CCNC1=NC(=NC(=C1)C)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C20H20IN5O/c1-3-22-18-11-13(2)23-20(26-18)25-17-9-7-16(8-10-17)24-19(27)14-5-4-6-15(21)12-14/h4-12H,3H2,1-2H3,(H,24,27)(H2,22,23,25,26)