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

Systemtic Name: N4-(furan-2-ylmethyl)-N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2-furylmethyl)-N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(2-furanylmethyl)-N2-[3-(4-morpholin-4-iumyl)propyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(furan-2-ylmethyl)-2-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2-furfurylamino)-5-nitro-pyrimidin-2-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C16H24N7O4+ MolecularWeight: 378.40626

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N

Isomeric SMILES

C1COCC[NH+]1CCCNC2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N

InChI

InChI=1S/C16H23N7O4/c17-14-13(23(24)25)15(19-11-12-3-1-8-27-12)21-16(20-14)18-4-2-5-22-6-9-26-10-7-22/h1,3,8H,2,4-7,9-11H2,(H4,17,18,19,20,21)/p+1