N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-N4-phenyl-pyrimidine-2,4,6-triamine

Systemtic Name: N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-N4-phenyl-pyrimidine-2,4,6-triamine Openeye Name: N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-N4-phenyl-pyrimidine-2,4,6-triamine CAS Name: N2-[3-(4-morpholin-4-iumyl)propyl]-5-nitro-N4-phenylpyrimidine-2,4,6-triamine IUPAC Name: 2-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-4-N-phenylpyrimidine-2,4,6-triamine Traditional Name: (4-amino-6-anilino-5-nitro-pyrimidin-2-yl)-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C17H24N7O3+ MolecularWeight: 374.41756

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=NC(=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

C1COCC[NH+]1CCCNC2=NC(=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H23N7O3/c18-15-14(24(25)26)16(20-13-5-2-1-3-6-13)22-17(21-15)19-7-4-8-23-9-11-27-12-10-23/h1-3,5-6H,4,7-12H2,(H4,18,19,20,21,22)/p+1