sodium; 5-[(E)-but-2-enoyl]-1,5-dimethyl-1,3-diazinane-2,4,6-trione; 5-(cyclohexen-1-yl)-1,5-dimethyl-4,6-bis(oxidanylidene)pyrimidin-2-olate; [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate

Systemtic Name: sodium; 5-[(E)-but-2-enoyl]-1,5-dimethyl-1,3-diazinane-2,4,6-trione; 5-(cyclohexen-1-yl)-1,5-dimethyl-4,6-bis(oxidanylidene)pyrimidin-2-olate; [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate Openeye Name: sodium; 5-[(E)-but-2-enoyl]-1,5-dimethyl-hexahydropyrimidine-2,4,6-trione; 5-(cyclohexen-1-yl)-1,5-dimethyl-4,6-dioxo-pyrimidin-2-olate; [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate CAS Name: sodium; 5-(1-cyclohexenyl)-1,5-dimethyl-4,6-dioxo-2-pyrimidinolate; 1,5-dimethyl-5-[(E)-1-oxobut-2-enyl]-1,3-diazinane-2,4,6-trione; 3-hydroxy-2-phenylpropanoic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: sodium; 5-[(E)-but-2-enoyl]-1,5-dimethyl-1,3-diazinane-2,4,6-trione; 5-(cyclohexen-1-yl)-1,5-dimethyl-4,6-dioxopyrimidin-2-olate; [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate Traditional Name: sodium; 5-[(E)-but-2-enoyl]-1,5-dimethyl-barbituric acid; 5-(cyclohexen-1-yl)-4,6-diketo-1,5-dimethyl-pyrimidin-2-olate; 3-hydroxy-2-phenyl-propionic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester Formula: C39H50N5NaO10 MolecularWeight: 771.83157

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1(C(=O)NC(=O)N(C1=O)C)C.CC1(C(=O)N=C(N(C1=O)C)[O-])C2=CCCCC2.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.[Na+]

Isomeric SMILES

C/C=C/C(=O)C1(C(=O)NC(=O)N(C1=O)C)C.CC1(C(=O)N=C(N(C1=O)C)[O-])C2=CCCCC2.CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C17H23NO3.C12H16N2O3.C10H12N2O4.Na/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16;1-4-5-6(13)10(2)7(14)11-9(16)12(3)8(10)15;/h2-6,13-16,19H,7-11H2,1H3;6H,3-5,7H2,1-2H3,(H,13,15,17);4-5H,1-3H3,(H,11,14,16);/q;;;+1/p-1/b;;5-4+;/t13-,14+,15?,16?;;;