1-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone

Systemtic Name: 1-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone Openeye Name: 1-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone CAS Name: 1-[4-[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]-1-piperazinyl]-2-(4-fluorophenyl)ethanone IUPAC Name: 1-[4-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone Traditional Name: 1-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazino]-2-(4-fluorophenyl)ethanone Formula: C19H21FN6O3 MolecularWeight: 400.406843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)C(=O)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)C(=O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C19H21FN6O3/c20-14-3-1-13(2-4-14)11-17(27)24-7-9-25(10-8-24)19-21-12-16(26(28)29)18(23-19)22-15-5-6-15/h1-4,12,15H,5-11H2,(H,21,22,23)