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

Systemtic Name: N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N4-benzyl-N2-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[3-(4-morpholin-4-iumyl)propyl]-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 4-N-benzyl-2-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C18H26N7O3+ MolecularWeight: 388.44414

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

C1COCC[NH+]1CCCNC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C18H25N7O3/c19-16-15(25(26)27)17(21-13-14-5-2-1-3-6-14)23-18(22-16)20-7-4-8-24-9-11-28-12-10-24/h1-3,5-6H,4,7-13H2,(H4,19,20,21,22,23)/p+1