N-[2-(methylamino)ethyl]-1-oxidanidyl-N-[1-[4-oxidanylidene-3-(pyrimidin-5-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]propyl]pyridin-1-ium-4-carboxamide

Systemtic Name: N-[2-(methylamino)ethyl]-1-oxidanidyl-N-[1-[4-oxidanylidene-3-(pyrimidin-5-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]propyl]pyridin-1-ium-4-carboxamide Openeye Name: N-[2-(methylamino)ethyl]-1-oxido-N-[1-[4-oxo-3-(pyrimidin-5-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]propyl]pyridin-1-ium-4-carboxamide CAS Name: N-[2-(methylamino)ethyl]-1-oxido-N-[1-[4-oxo-3-(5-pyrimidinylmethyl)-2-pyrido[2,3-d]pyrimidinyl]propyl]-4-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(methylamino)ethyl]-1-oxido-N-[1-[4-oxo-3-(pyrimidin-5-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]propyl]pyridin-1-ium-4-carboxamide Traditional Name: N-[1-[4-keto-3-(5-pyrimidylmethyl)pyrido[2,3-d]pyrimidin-2-yl]propyl]-N-[2-(methylamino)ethyl]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C24H26N8O3 MolecularWeight: 474.51504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N8O3/c1-3-20(31(12-9-25-2)23(33)18-6-10-30(35)11-7-18)22-29-21-19(5-4-8-28-21)24(34)32(22)15-17-13-26-16-27-14-17/h4-8,10-11,13-14,16,20,25H,3,9,12,15H2,1-2H3