3-[6-oxidanylidene-8-[[3-oxidanyl-3-oxidanylidene-2-(pyrimidin-2-ylamino)propyl]carbamoyl]quinolizin-3-yl]oxypropylazanium

Systemtic Name: 3-[6-oxidanylidene-8-[[3-oxidanyl-3-oxidanylidene-2-(pyrimidin-2-ylamino)propyl]carbamoyl]quinolizin-3-yl]oxypropylazanium Openeye Name: 3-[8-[[3-hydroxy-3-oxo-2-(pyrimidin-2-ylamino)propyl]carbamoyl]-6-oxo-quinolizin-3-yl]oxypropylammonium CAS Name: 3-[[8-[[[3-hydroxy-3-oxo-2-(2-pyrimidinylamino)propyl]amino]-oxomethyl]-6-oxo-3-quinolizinyl]oxy]propylammonium IUPAC Name: 3-[8-[[3-hydroxy-3-oxo-2-(pyrimidin-2-ylamino)propyl]carbamoyl]-6-oxoquinolizin-3-yl]oxypropylazanium Traditional Name: 3-[8-[[3-hydroxy-3-keto-2-(2-pyrimidylamino)propyl]carbamoyl]-6-keto-quinolizin-3-yl]oxypropylammonium Formula: C20H23N6O5+ MolecularWeight: 427.43382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC(CNC(=O)C2=CC(=O)N3C=C(C=CC3=C2)OCCC[NH3+])C(=O)O

Isomeric SMILES

C1=CN=C(N=C1)NC(CNC(=O)C2=CC(=O)N3C=C(C=CC3=C2)OCCC[NH3+])C(=O)O

InChI

InChI=1S/C20H22N6O5/c21-5-1-8-31-15-4-3-14-9-13(10-17(27)26(14)12-15)18(28)24-11-16(19(29)30)25-20-22-6-2-7-23-20/h2-4,6-7,9-10,12,16H,1,5,8,11,21H2,(H,24,28)(H,29,30)(H,22,23,25)/p+1