1-[3-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-oxidanyl-propyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[3-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-oxidanyl-propyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[3-(4-amino-2-oxo-pyrimidin-1-yl)-2-hydroxy-propyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[3-(4-amino-2-oxo-1-pyrimidinyl)-2-hydroxypropyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[3-(4-amino-2-keto-pyrimidin-1-yl)-2-hydroxy-propyl]pyridin-1-ium-3-carboxamide Formula: C13H16N5O3+ MolecularWeight: 290.29784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(CN2C=CC(=NC2=O)N)O)C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(CN2C=CC(=NC2=O)N)O)C(=O)N

InChI

InChI=1S/C13H15N5O3/c14-11-3-5-18(13(21)16-11)8-10(19)7-17-4-1-2-9(6-17)12(15)20/h1-6,10,19H,7-8H2,(H3-,14,15,16,20,21)/p+1