3-[(2-aminocarbonyl-4-azanyl-pyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-1,3-thiazol-3-ium-4-carboxamide

Systemtic Name: 3-[(2-aminocarbonyl-4-azanyl-pyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-1,3-thiazol-3-ium-4-carboxamide Openeye Name: 3-[(4-amino-2-carbamoyl-pyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)thiazol-3-ium-4-carboxamide CAS Name: 3-[(4-amino-2-carbamoyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-thiazol-3-iumcarboxamide IUPAC Name: 3-[(4-amino-2-carbamoylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-1,3-thiazol-3-ium-4-carboxamide Traditional Name: 3-[(4-amino-2-carbamoyl-pyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)thiazol-3-ium-4-carboxamide Formula: C12H15N6O3S+ MolecularWeight: 323.3509

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=N1)C(=O)N)N)C[N+]2=CSC(=C2C(=O)N)CCO

Isomeric SMILES

C1=C(C(=NC(=N1)C(=O)N)N)C[N+]2=CSC(=C2C(=O)N)CCO

InChI

InChI=1S/C12H14N6O3S/c13-9-6(3-16-12(17-9)11(15)21)4-18-5-22-7(1-2-19)8(18)10(14)20/h3,5,19H,1-2,4H2,(H5-,13,14,15,16,17,20,21)/p+1