N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[(4-fluorophenyl)methyl]-N-(2-furylmethyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-[(4-fluorophenyl)methyl]-N-(2-furanylmethyl)-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (4-fluorobenzyl)-(2-furfuryl)-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H23FN6O3 MolecularWeight: 426.444123

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=C(C=C3)F)CC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=C(C=C3)F)CC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C21H23FN6O3/c1-25-8-10-26(11-9-25)20-19(28(29)30)21(24-15-23-20)27(14-18-3-2-12-31-18)13-16-4-6-17(22)7-5-16/h2-7,12,15H,8-11,13-14H2,1H3