6-(morpholin-4-ylmethyl)-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-(morpholin-4-ylmethyl)-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-4-one Openeye Name: 6-(morpholinomethyl)-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-4-one CAS Name: 6-(4-morpholinylmethyl)-2-[4-[(3-nitrophenyl)methyl]-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 6-(morpholin-4-ylmethyl)-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-4-one Traditional Name: 6-(morpholinomethyl)-2-[4-(3-nitrobenzyl)piperazino]-1H-pyrimidin-4-one Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC(=O)C=C(N3)CN4CCOCC4

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC(=O)C=C(N3)CN4CCOCC4

InChI

InChI=1S/C20H26N6O4/c27-19-13-17(15-24-8-10-30-11-9-24)21-20(22-19)25-6-4-23(5-7-25)14-16-2-1-3-18(12-16)26(28)29/h1-3,12-13H,4-11,14-15H2,(H,21,22,27)