6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine

Systemtic Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine Openeye Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine CAS Name: 6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-N-[3-(1-pyrrolidinyl)propyl]-4-pyrimidinamine IUPAC Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine Traditional Name: [6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(3-pyrrolidinopropyl)amine Formula: C21H28FN7O2 MolecularWeight: 429.491123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C1CCN(C1)CCCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H28FN7O2/c22-17-6-1-2-7-18(17)27-12-14-28(15-13-27)21-19(29(30)31)20(24-16-25-21)23-8-5-11-26-9-3-4-10-26/h1-2,6-7,16H,3-5,8-15H2,(H,23,24,25)