4-[(2-azanyl-3-oxidanyl-6-piperidin-1-yl-pyrimidin-4-ylidene)amino]butyl nitrate

Systemtic Name: 4-[(2-azanyl-3-oxidanyl-6-piperidin-1-yl-pyrimidin-4-ylidene)amino]butyl nitrate Openeye Name: 4-[[2-amino-3-hydroxy-6-(1-piperidyl)pyrimidin-4-ylidene]amino]butyl nitrate CAS Name: nitric acid 4-[[2-amino-3-hydroxy-6-(1-piperidinyl)-4-pyrimidinylidene]amino]butyl ester IUPAC Name: 4-[(2-amino-3-hydroxy-6-piperidin-1-ylpyrimidin-4-ylidene)amino]butyl nitrate Traditional Name: nitric acid 4-[(2-amino-3-hydroxy-6-piperidino-pyrimidin-4-ylidene)amino]butyl ester Formula: C13H22N6O4 MolecularWeight: 326.35158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NCCCCO[N+](=O)[O-])N(C(=N2)N)O

Isomeric SMILES

C1CCN(CC1)C2=CC(=NCCCCO[N+](=O)[O-])N(C(=N2)N)O

InChI

InChI=1S/C13H22N6O4/c14-13-16-12(17-7-3-1-4-8-17)10-11(18(13)20)15-6-2-5-9-23-19(21)22/h10,20H,1-9H2,(H2,14,16)