6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-5-nitro-N-prop-2-enyl-pyrimidin-4-amine

Systemtic Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-5-nitro-N-prop-2-enyl-pyrimidin-4-amine Openeye Name: N-allyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(2-fluorophenyl)-1-piperazinyl]-N-methyl-5-nitro-N-prop-2-enyl-4-pyrimidinamine IUPAC Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-5-nitro-N-prop-2-enylpyrimidin-4-amine Traditional Name: allyl-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C18H21FN6O2 MolecularWeight: 372.396743

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC=C)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CN(CC=C)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C18H21FN6O2/c1-3-8-22(2)17-16(25(26)27)18(21-13-20-17)24-11-9-23(10-12-24)15-7-5-4-6-14(15)19/h3-7,13H,1,8-12H2,2H3