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

Systemtic Name: N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N4-benzyl-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[2-(4-morpholin-4-iumyl)ethyl]-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 4-N-benzyl-2-N-(2-morpholin-4-ium-4-ylethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C17H24N7O3+ MolecularWeight: 374.41756

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

C1COCC[NH+]1CCNC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N

InChI

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