[4-[6-[(2-bromophenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[6-[(2-bromophenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[6-[(2-bromophenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[6-[(2-bromophenyl)methylamino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[6-[(2-bromophenyl)methylamino]-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-[(2-bromobenzyl)amino]-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C20H19BrN6O4 MolecularWeight: 487.30666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NCC3=CC=CC=C3Br)[N+](=O)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NCC3=CC=CC=C3Br)[N+](=O)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C20H19BrN6O4/c21-15-5-2-1-4-14(15)12-22-18-17(27(29)30)19(24-13-23-18)25-7-9-26(10-8-25)20(28)16-6-3-11-31-16/h1-6,11,13H,7-10,12H2,(H,22,23,24)