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

Systemtic Name: furan-2-yl-[4-[6-[2-(4-hydroxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 2-furyl-[4-[6-[2-(4-hydroxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 2-furanyl-[4-[6-[2-(4-hydroxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: furan-2-yl-[4-[6-[2-(4-hydroxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 2-furyl-[4-[6-[2-(4-hydroxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]piperazino]methanone Formula: C21H22N6O5 MolecularWeight: 438.43658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NCCC3=CC=C(C=C3)O)[N+](=O)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NCCC3=CC=C(C=C3)O)[N+](=O)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C21H22N6O5/c28-16-5-3-15(4-6-16)7-8-22-19-18(27(30)31)20(24-14-23-19)25-9-11-26(12-10-25)21(29)17-2-1-13-32-17/h1-6,13-14,28H,7-12H2,(H,22,23,24)