N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclopropyl-2-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopropyl-2-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazin-4-iumyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-nitropyrimidin-4-amine Traditional Name: cyclopropyl-[2-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-nitro-pyrimidin-4-yl]amine Formula: C17H24N7O3+ MolecularWeight: 374.41756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C17H23N7O3/c1-11-14(12(2)27-21-11)10-22-5-7-23(8-6-22)17-18-9-15(24(25)26)16(20-17)19-13-3-4-13/h9,13H,3-8,10H2,1-2H3,(H,18,19,20)/p+1