sodium 5-phenethyl-5-(3-phenoxypropyl)pyrimidin-3-ide-2,4,6-trione

Systemtic Name: sodium 5-phenethyl-5-(3-phenoxypropyl)pyrimidin-3-ide-2,4,6-trione Openeye Name: sodium 5-phenethyl-5-(3-phenoxypropyl)hexahydropyrimidin-3-ide-2,4,6-trione CAS Name: sodium 5-phenethyl-5-(3-phenoxypropyl)pyrimidin-3-ide-2,4,6-trione IUPAC Name: sodium 5-phenethyl-5-(3-phenoxypropyl)pyrimidin-3-ide-2,4,6-trione Traditional Name: sodium 5-phenethyl-5-(3-phenoxypropyl)hexahydropyrimidin-3-ide-2,4,6-trione Formula: C21H21N2NaO4 MolecularWeight: 388.39221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2(C(=O)NC(=O)[N-]C2=O)CCCOC3=CC=CC=C3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCC2(C(=O)NC(=O)[N-]C2=O)CCCOC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C21H22N2O4.Na/c24-18-21(19(25)23-20(26)22-18,14-12-16-8-3-1-4-9-16)13-7-15-27-17-10-5-2-6-11-17;/h1-6,8-11H,7,12-15H2,(H2,22,23,24,25,26);/q;+1/p-1