[2-methyl-5-[[4-methyl-5-(2-nitrooxyethyl)-1,3-thiazol-3-ium-3-yl]methyl]pyrimidin-4-yl]azanide

Systemtic Name: [2-methyl-5-[[4-methyl-5-(2-nitrooxyethyl)-1,3-thiazol-3-ium-3-yl]methyl]pyrimidin-4-yl]azanide Openeye Name: [2-methyl-5-[[4-methyl-5-(2-nitrooxyethyl)thiazol-3-ium-3-yl]methyl]pyrimidin-4-yl]azanide CAS Name: [2-methyl-5-[[4-methyl-5-(2-nitrooxyethyl)-3-thiazol-3-iumyl]methyl]-4-pyrimidinyl]azanide IUPAC Name: [2-methyl-5-[[4-methyl-5-(2-nitrooxyethyl)-1,3-thiazol-3-ium-3-yl]methyl]pyrimidin-4-yl]azanide Traditional Name: [2-methyl-5-[[4-methyl-5-(2-nitrooxyethyl)thiazol-3-ium-3-yl]methyl]pyrimidin-4-yl]azanide Formula: C12H15N5O3S MolecularWeight: 309.3442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CN=C(N=C2[NH-])C)CCO[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CN=C(N=C2[NH-])C)CCO[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O3S/c1-8-11(3-4-20-17(18)19)21-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H-,13,14,15)