N-[(4-tert-butylphenyl)methyl]-6-(1-fluoroethyl)-5-iodanyl-pyrimidin-4-amine

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-6-(1-fluoroethyl)-5-iodanyl-pyrimidin-4-amine Openeye Name: N-[(4-tert-butylphenyl)methyl]-6-(1-fluoroethyl)-5-iodo-pyrimidin-4-amine CAS Name: N-[(4-tert-butylphenyl)methyl]-6-(1-fluoroethyl)-5-iodo-4-pyrimidinamine IUPAC Name: N-[(4-tert-butylphenyl)methyl]-6-(1-fluoroethyl)-5-iodopyrimidin-4-amine Traditional Name: (4-tert-butylbenzyl)-[6-(1-fluoroethyl)-5-iodo-pyrimidin-4-yl]amine Formula: C17H21FIN3 MolecularWeight: 413.271613

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=NC=N1)NCC2=CC=C(C=C2)C(C)(C)C)I)F

Isomeric SMILES

CC(C1=C(C(=NC=N1)NCC2=CC=C(C=C2)C(C)(C)C)I)F

InChI

InChI=1S/C17H21FIN3/c1-11(18)15-14(19)16(22-10-21-15)20-9-12-5-7-13(8-6-12)17(2,3)4/h5-8,10-11H,9H2,1-4H3,(H,20,21,22)