N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(pyrimidin-4-ylmethylamino)pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(pyrimidin-4-ylmethylamino)pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-ethylthiazol-2-yl)methyl]-6-(pyrimidin-4-ylmethylamino)pyridin-1-ium-3-carboxamide CAS Name: N-[(4-ethyl-2-thiazolyl)methyl]-6-(4-pyrimidinylmethylamino)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(pyrimidin-4-ylmethylamino)pyridin-1-ium-3-carboxamide Traditional Name: N-[(4-ethylthiazol-2-yl)methyl]-6-(4-pyrimidylmethylamino)pyridin-1-ium-3-carboxamide Formula: C17H19N6OS+ MolecularWeight: 355.43736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)NCC3=NC=NC=C3

Isomeric SMILES

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)NCC3=NC=NC=C3

InChI

InChI=1S/C17H18N6OS/c1-2-13-10-25-16(23-13)9-21-17(24)12-3-4-15(19-7-12)20-8-14-5-6-18-11-22-14/h3-7,10-11H,2,8-9H2,1H3,(H,19,20)(H,21,24)/p+1