sodium 7-[4-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)amino]phenoxy]heptanoate

Systemtic Name: sodium 7-[4-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)amino]phenoxy]heptanoate Openeye Name: sodium 7-[4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)amino]phenoxy]heptanoate CAS Name: sodium 7-[4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)amino]phenoxy]heptanoate IUPAC Name: sodium 7-[4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)amino]phenoxy]heptanoate Traditional Name: sodium 7-[4-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)amino]phenoxy]enanthate Formula: C23H24N3NaO4 MolecularWeight: 429.44413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)NC3=CC=C(C=C3)OCCCCCCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)NC3=CC=C(C=C3)OCCCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C23H25N3O4.Na/c27-21-16-20(17-8-4-3-5-9-17)25-23(26-21)24-18-11-13-19(14-12-18)30-15-7-2-1-6-10-22(28)29;/h3-5,8-9,11-14,16H,1-2,6-7,10,15H2,(H,28,29)(H2,24,25,26,27);/q;+1/p-1