sodium (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl-(1-methyl-1,2,3,4-tetrazol-5-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-methyl-1,2,3,4-tetrazol-5-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-methyltetrazol-5-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-5-tetrazolyl)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-methyltetrazol-5-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-methyltetrazol-5-yl)amino]pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoate Formula: C23H27FN7NaO4 MolecularWeight: 507.493153

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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=NN3C.[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=NN3C.[Na+]

InChI

InChI=1S/C23H28FN7O4.Na/c1-13(2)20-18(10-9-16(32)11-17(33)12-19(34)35)21(14-5-7-15(24)8-6-14)26-22(25-20)30(3)23-27-28-29-31(23)4;/h5-10,13,16-17,32-33H,11-12H2,1-4H3,(H,34,35);/q;+1/p-1/b10-9+;/t16-,17-;/m1./s1