(2S)-2-[[4-[[2,3-bis(fluoranyl)phenyl]amino]-6-(4-methoxyphenyl)sulfanyl-pyrimidin-2-yl]amino]-4-methyl-N-(oxolan-2-ylmethyl)pentanamide

Systemtic Name: (2S)-2-[[4-[[2,3-bis(fluoranyl)phenyl]amino]-6-(4-methoxyphenyl)sulfanyl-pyrimidin-2-yl]amino]-4-methyl-N-(oxolan-2-ylmethyl)pentanamide Openeye Name: (2S)-2-[[4-(2,3-difluoroanilino)-6-(4-methoxyphenyl)sulfanyl-pyrimidin-2-yl]amino]-4-methyl-N-(tetrahydrofuran-2-ylmethyl)pentanamide CAS Name: (2S)-2-[[4-(2,3-difluoroanilino)-6-[(4-methoxyphenyl)thio]-2-pyrimidinyl]amino]-4-methyl-N-(2-oxolanylmethyl)pentanamide IUPAC Name: (2S)-2-[[4-(2,3-difluoroanilino)-6-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]-4-methyl-N-(oxolan-2-ylmethyl)pentanamide Traditional Name: (2S)-2-[[4-(2,3-difluoroanilino)-6-[(4-methoxyphenyl)thio]pyrimidin-2-yl]amino]-4-methyl-N-(tetrahydrofurfuryl)valeramide Formula: C28H33F2N5O3S MolecularWeight: 557.655126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1CCCO1)NC2=NC(=CC(=N2)SC3=CC=C(C=C3)OC)NC4=C(C(=CC=C4)F)F

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC1CCCO1)NC2=NC(=CC(=N2)SC3=CC=C(C=C3)OC)NC4=C(C(=CC=C4)F)F

InChI

InChI=1S/C28H33F2N5O3S/c1-17(2)14-23(27(36)31-16-19-6-5-13-38-19)33-28-34-24(32-22-8-4-7-21(29)26(22)30)15-25(35-28)39-20-11-9-18(37-3)10-12-20/h4,7-12,15,17,19,23H,5-6,13-14,16H2,1-3H3,(H,31,36)(H2,32,33,34,35)/t19?,23-/m0/s1