sodium (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl-(1-methylpyrazol-3-yl)amino]-6-propan-2-yl-pyrimidin-5-yl]-3,5-bis(oxidanyl)hept-6-enoate

Systemtic Name: sodium (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl-(1-methylpyrazol-3-yl)amino]-6-propan-2-yl-pyrimidin-5-yl]-3,5-bis(oxidanyl)hept-6-enoate Openeye Name: sodium (E,3R,5S)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl-(1-methylpyrazol-3-yl)amino]pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoate CAS Name: sodium (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl-(1-methyl-3-pyrazolyl)amino]-6-propan-2-yl-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoate IUPAC Name: sodium (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl-(1-methylpyrazol-3-yl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate Traditional Name: sodium (E,3R,5S)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl-(1-methylpyrazol-3-yl)amino]pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoate Formula: C25H29FN5NaO4 MolecularWeight: 505.517033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)C3=NN(C=C3)C.[Na+]

Isomeric SMILES

CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)C3=NN(C=C3)C.[Na+]

InChI

InChI=1S/C25H30FN5O4.Na/c1-15(2)23-20(10-9-18(32)13-19(33)14-22(34)35)24(16-5-7-17(26)8-6-16)28-25(27-23)31(4)21-11-12-30(3)29-21;/h5-12,15,18-19,32-33H,13-14H2,1-4H3,(H,34,35);/q;+1/p-1/b10-9+;/t18-,19-;/m1./s1