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

Systemtic Name: [4-[6-[(2-ethoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[6-[(2-ethoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[6-[(2-ethoxyphenyl)methylamino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[6-[(2-ethoxyphenyl)methylamino]-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-[(2-ethoxybenzyl)amino]-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C22H24N6O5 MolecularWeight: 452.46316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCOC1=CC=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H24N6O5/c1-2-32-17-7-4-3-6-16(17)14-23-20-19(28(30)31)21(25-15-24-20)26-9-11-27(12-10-26)22(29)18-8-5-13-33-18/h3-8,13,15H,2,9-12,14H2,1H3,(H,23,24,25)