N-ethyl-1-oxidanidyl-N-[1-[4-oxidanylidene-3-(phenylmethyl)pyrido[2,3-d]pyrimidin-2-yl]propyl]pyridin-1-ium-4-carboxamide

Systemtic Name: N-ethyl-1-oxidanidyl-N-[1-[4-oxidanylidene-3-(phenylmethyl)pyrido[2,3-d]pyrimidin-2-yl]propyl]pyridin-1-ium-4-carboxamide Openeye Name: N-[1-(3-benzyl-4-oxo-pyrido[2,3-d]pyrimidin-2-yl)propyl]-N-ethyl-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-ethyl-1-oxido-N-[1-[4-oxo-3-(phenylmethyl)-2-pyrido[2,3-d]pyrimidinyl]propyl]-4-pyridin-1-iumcarboxamide IUPAC Name: N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-N-ethyl-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[1-(3-benzyl-4-keto-pyrido[2,3-d]pyrimidin-2-yl)propyl]-N-ethyl-1-oxido-pyridin-1-ium-4-carboxamide Formula: C25H25N5O3 MolecularWeight: 443.4977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C=CC=N2)C(=O)N1CC3=CC=CC=C3)N(CC)C(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

CCC(C1=NC2=C(C=CC=N2)C(=O)N1CC3=CC=CC=C3)N(CC)C(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C25H25N5O3/c1-3-21(29(4-2)24(31)19-12-15-28(33)16-13-19)23-27-22-20(11-8-14-26-22)25(32)30(23)17-18-9-6-5-7-10-18/h5-16,21H,3-4,17H2,1-2H3