sodium (E)-[6-chloranyl-3-(pyrimidin-5-ylcarbamoyl)-2,3-dihydroinden-1-ylidene]-thiophen-2-yl-methanolate

Systemtic Name: sodium (E)-[6-chloranyl-3-(pyrimidin-5-ylcarbamoyl)-2,3-dihydroinden-1-ylidene]-thiophen-2-yl-methanolate Openeye Name: sodium (E)-[6-chloro-3-(pyrimidin-5-ylcarbamoyl)indan-1-ylidene]-(2-thienyl)methanolate CAS Name: sodium (E)-[6-chloro-3-[oxo-(5-pyrimidinylamino)methyl]-2,3-dihydroinden-1-ylidene]-thiophen-2-ylmethanolate IUPAC Name: sodium (E)-[6-chloro-3-(pyrimidin-5-ylcarbamoyl)-2,3-dihydroinden-1-ylidene]-thiophen-2-ylmethanolate Traditional Name: sodium (E)-[6-chloro-3-(5-pyrimidylcarbamoyl)indan-1-ylidene]-(2-thienyl)methanolate Formula: C19H13ClN3NaO2S MolecularWeight: 405.83319

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C1=C(C3=CC=CS3)[O-])C=C(C=C2)Cl)C(=O)NC4=CN=CN=C4.[Na+]

Isomeric SMILES

C\1C(C2=C(/C1=C(\C3=CC=CS3)/[O-])C=C(C=C2)Cl)C(=O)NC4=CN=CN=C4.[Na+]

InChI

InChI=1S/C19H14ClN3O2S.Na/c20-11-3-4-13-14(6-11)15(18(24)17-2-1-5-26-17)7-16(13)19(25)23-12-8-21-10-22-9-12;/h1-6,8-10,16,24H,7H2,(H,23,25);/q;+1/p-1/b18-15+;