2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-yl-pyrimidin-5-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanoic acid; 2-(2-hydroxyethylamino)ethanol

Systemtic Name: 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-yl-pyrimidin-5-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanoic acid; 2-(2-hydroxyethylamino)ethanol Openeye Name: 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid; 2-(2-hydroxyethylamino)ethanol CAS Name: 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-yl-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid; 2-(2-hydroxyethylamino)ethanol IUPAC Name: 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid; 2-(2-hydroxyethylamino)ethanol Traditional Name: 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-6-isopropyl-2-[mesyl(methyl)amino]pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid; 2-(2-hydroxyethylamino)ethanol Formula: C29H43FN4O8S MolecularWeight: 626.737123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1C=CC2CC(OC(O2)(C)C)CC(=O)O)C3=CC=C(C=C3)F)N(C)S(=O)(=O)C.C(CO)NCCO

Isomeric SMILES

CC(C)C1=NC(=NC(=C1/C=C/[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)O)C3=CC=C(C=C3)F)N(C)S(=O)(=O)C.C(CO)NCCO

InChI

InChI=1S/C25H32FN3O6S.C4H11NO2/c1-15(2)22-20(12-11-18-13-19(14-21(30)31)35-25(3,4)34-18)23(16-7-9-17(26)10-8-16)28-24(27-22)29(5)36(6,32)33;6-3-1-5-2-4-7/h7-12,15,18-19H,13-14H2,1-6H3,(H,30,31);5-7H,1-4H2/b12-11+;/t18-,19-;/m1./s1