3-[2-(2-fluoranyl-4-methoxy-phenyl)ethyl]-2-[C-(4-methylpiperazin-1-yl)carbonimidoyl]-7-nitro-quinazolin-4-one

Systemtic Name: 3-[2-(2-fluoranyl-4-methoxy-phenyl)ethyl]-2-[C-(4-methylpiperazin-1-yl)carbonimidoyl]-7-nitro-quinazolin-4-one Openeye Name: 3-[2-(2-fluoro-4-methoxy-phenyl)ethyl]-2-(4-methylpiperazine-1-carboximidoyl)-7-nitro-quinazolin-4-one CAS Name: 3-[2-(2-fluoro-4-methoxyphenyl)ethyl]-2-[imino-(4-methyl-1-piperazinyl)methyl]-7-nitro-4-quinazolinone IUPAC Name: 3-[2-(2-fluoro-4-methoxyphenyl)ethyl]-2-(4-methylpiperazine-1-carboximidoyl)-7-nitroquinazolin-4-one Traditional Name: 3-[2-(2-fluoro-4-methoxy-phenyl)ethyl]-2-(4-methylpiperazine-1-carboximidoyl)-7-nitro-quinazolin-4-one Formula: C23H25FN6O4 MolecularWeight: 468.480803

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=N)C2=NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2CCC4=C(C=C(C=C4)OC)F

Isomeric SMILES

CN1CCN(CC1)C(=N)C2=NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2CCC4=C(C=C(C=C4)OC)F

InChI

InChI=1S/C23H25FN6O4/c1-27-9-11-28(12-10-27)21(25)22-26-20-13-16(30(32)33)4-6-18(20)23(31)29(22)8-7-15-3-5-17(34-2)14-19(15)24/h3-6,13-14,25H,7-12H2,1-2H3