5-nitro-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-6-pyrrolidin-1-yl-pyrimidin-4-amine

Systemtic Name: 5-nitro-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-6-pyrrolidin-1-yl-pyrimidin-4-amine Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-6-(1-pyrrolidinyl)-4-pyrimidinamine IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine Traditional Name: [2-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-6-pyrrolidino-pyrimidin-4-yl]amine Formula: C19H26N7O2+ MolecularWeight: 384.45544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC(=N2)N3CC[NH+](CC3)CC4=CC=CC=C4)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC(=N2)N3CC[NH+](CC3)CC4=CC=CC=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C19H25N7O2/c20-17-16(26(27)28)18(24-8-4-5-9-24)22-19(21-17)25-12-10-23(11-13-25)14-15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2,(H2,20,21,22)/p+1