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

Systemtic Name: N-cyclopropyl-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-cyclopropyl-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-cyclopropyl-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-cyclopropyl-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[1-(3-benzyl-4-keto-pyrido[2,3-d]pyrimidin-2-yl)propyl]-N-cyclopropyl-1-oxido-pyridin-1-ium-4-carboxamide Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C=CC=N2)C(=O)N1CC3=CC=CC=C3)N(C4CC4)C(=O)C5=CC=[N+](C=C5)[O-]

Isomeric SMILES

CCC(C1=NC2=C(C=CC=N2)C(=O)N1CC3=CC=CC=C3)N(C4CC4)C(=O)C5=CC=[N+](C=C5)[O-]

InChI

InChI=1S/C26H25N5O3/c1-2-22(31(20-10-11-20)25(32)19-12-15-29(34)16-13-19)24-28-23-21(9-6-14-27-23)26(33)30(24)17-18-7-4-3-5-8-18/h3-9,12-16,20,22H,2,10-11,17H2,1H3