N-[4-azanyl-5-(5-iodanyl-4-methoxy-2-propan-2-yl-phenoxy)pyrimidin-2-yl]-1-methyl-piperidine-4-carboxamide

Systemtic Name: N-[4-azanyl-5-(5-iodanyl-4-methoxy-2-propan-2-yl-phenoxy)pyrimidin-2-yl]-1-methyl-piperidine-4-carboxamide Openeye Name: N-[4-amino-5-(5-iodo-2-isopropyl-4-methoxy-phenoxy)pyrimidin-2-yl]-1-methyl-piperidine-4-carboxamide CAS Name: N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)-2-pyrimidinyl]-1-methyl-4-piperidinecarboxamide IUPAC Name: N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-1-methylpiperidine-4-carboxamide Traditional Name: N-[4-amino-5-(5-iodo-2-isopropyl-4-methoxy-phenoxy)pyrimidin-2-yl]-1-methyl-isonipecotamide Formula: C21H28IN5O3 MolecularWeight: 525.38319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)NC(=O)C3CCN(CC3)C)I)OC

Isomeric SMILES

CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)NC(=O)C3CCN(CC3)C)I)OC

InChI

InChI=1S/C21H28IN5O3/c1-12(2)14-9-17(29-4)15(22)10-16(14)30-18-11-24-21(25-19(18)23)26-20(28)13-5-7-27(3)8-6-13/h9-13H,5-8H2,1-4H3,(H3,23,24,25,26,28)