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

Systemtic Name: furan-2-yl-[4-[5-nitro-6-(4-phenylbutylamino)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 2-furyl-[4-[5-nitro-6-(4-phenylbutylamino)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 2-furanyl-[4-[5-nitro-6-(4-phenylbutylamino)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: furan-2-yl-[4-[5-nitro-6-(4-phenylbutylamino)pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 2-furyl-[4-[5-nitro-6-(4-phenylbutylamino)pyrimidin-4-yl]piperazino]methanone Formula: C23H26N6O4 MolecularWeight: 450.49034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NCCCCC3=CC=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NCCCCC3=CC=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C23H26N6O4/c30-23(19-10-6-16-33-19)28-14-12-27(13-15-28)22-20(29(31)32)21(25-17-26-22)24-11-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10,16-17H,4-5,9,11-15H2,(H,24,25,26)