(E)-N,N'-bis(5-aminocarbonylpyridin-2-yl)but-2-enediamide dihydrate

Systemtic Name: (E)-N,N'-bis(5-aminocarbonylpyridin-2-yl)but-2-enediamide dihydrate Openeye Name: (E)-N,N'-bis(5-carbamoyl-2-pyridyl)but-2-enediamide dihydrate CAS Name: (E)-N,N'-bis(5-carbamoyl-2-pyridinyl)-2-butenediamide dihydrate IUPAC Name: (E)-N,N'-bis(5-carbamoylpyridin-2-yl)but-2-enediamide dihydrate Traditional Name: (E)-N,N'-bis(5-carbamoyl-2-pyridyl)but-2-enediamide dihydrate Formula: C16H18N6O6 MolecularWeight: 390.35072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(=O)N)NC(=O)C=CC(=O)NC2=NC=C(C=C2)C(=O)N.O.O

Isomeric SMILES

C1=CC(=NC=C1C(=O)N)NC(=O)/C=C/C(=O)NC2=NC=C(C=C2)C(=O)N.O.O

InChI

InChI=1S/C16H14N6O4.2H2O/c17-15(25)9-1-3-11(19-7-9)21-13(23)5-6-14(24)22-12-4-2-10(8-20-12)16(18)26;;/h1-8H,(H2,17,25)(H2,18,26)(H,19,21,23)(H,20,22,24);2*1H2/b6-5+;;