sodium 2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxylate

Systemtic Name: sodium 2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxylate Openeye Name: sodium 2-[[4-(2-naphthylsulfonyl)morpholin-2-yl]methylamino]pyrimidine-5-carboxylate CAS Name: sodium 2-[[4-(2-naphthalenylsulfonyl)-2-morpholinyl]methylamino]-5-pyrimidinecarboxylate IUPAC Name: sodium 2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxylate Traditional Name: sodium 2-[[4-(2-naphthylsulfonyl)morpholin-2-yl]methylamino]pyrimidine-5-carboxylate Formula: C20H19N4NaO5S MolecularWeight: 450.44343

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CNC4=NC=C(C=N4)C(=O)[O-].[Na+]

Isomeric SMILES

C1COC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CNC4=NC=C(C=N4)C(=O)[O-].[Na+]

InChI

InChI=1S/C20H20N4O5S.Na/c25-19(26)16-10-21-20(22-11-16)23-12-17-13-24(7-8-29-17)30(27,28)18-6-5-14-3-1-2-4-15(14)9-18;/h1-6,9-11,17H,7-8,12-13H2,(H,25,26)(H,21,22,23);/q;+1/p-1