4-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-6-methyl-quinazoline

Systemtic Name: 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-6-methyl-quinazoline Openeye Name: 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-6-methyl-quinazoline CAS Name: 4-[[6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]-6-methylquinazoline IUPAC Name: 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxy-6-methylquinazoline Traditional Name: 4-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]oxy-6-methyl-quinazoline Formula: C23H20FN7O3 MolecularWeight: 461.448403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=CN=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CC1=CC2=C(C=C1)N=CN=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C23H20FN7O3/c1-15-6-7-18-16(12-15)22(27-13-25-18)34-23-20(31(32)33)21(26-14-28-23)30-10-8-29(9-11-30)19-5-3-2-4-17(19)24/h2-7,12-14H,8-11H2,1H3