5-(5-iodanyl-4-methoxy-2-propan-2-yl-phenoxy)-N2-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine

Systemtic Name: 5-(5-iodanyl-4-methoxy-2-propan-2-yl-phenoxy)-N2-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine Openeye Name: 5-(5-iodo-2-isopropyl-4-methoxy-phenoxy)-N2-(1-methylsulfonyl-4-piperidyl)pyrimidine-2,4-diamine CAS Name: 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)-N2-(1-methylsulfonyl-4-piperidinyl)pyrimidine-2,4-diamine IUPAC Name: 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine Traditional Name: [4-amino-5-(5-iodo-2-isopropyl-4-methoxy-phenoxy)pyrimidin-2-yl]-(1-mesyl-4-piperidyl)amine Formula: C20H28IN5O4S MolecularWeight: 561.43689

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C)I)OC

Isomeric SMILES

CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C)I)OC

InChI

InChI=1S/C20H28IN5O4S/c1-12(2)14-9-17(29-3)15(21)10-16(14)30-18-11-23-20(25-19(18)22)24-13-5-7-26(8-6-13)31(4,27)28/h9-13H,5-8H2,1-4H3,(H3,22,23,24,25)