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

Systemtic Name: 6-(morpholin-4-ylmethyl)-2-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]-1H-pyrimidin-4-one Openeye Name: 6-(morpholinomethyl)-2-[4-(3-nitrobenzoyl)piperazin-1-yl]-1H-pyrimidin-4-one CAS Name: 6-(4-morpholinylmethyl)-2-[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 6-(morpholin-4-ylmethyl)-2-[4-(3-nitrobenzoyl)piperazin-1-yl]-1H-pyrimidin-4-one Traditional Name: 6-(morpholinomethyl)-2-[4-(3-nitrobenzoyl)piperazino]-1H-pyrimidin-4-one Formula: C20H24N6O5 MolecularWeight: 428.44176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=O)C=C(N2)CN3CCOCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC(=O)C=C(N2)CN3CCOCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O5/c27-18-13-16(14-23-8-10-31-11-9-23)21-20(22-18)25-6-4-24(5-7-25)19(28)15-2-1-3-17(12-15)26(29)30/h1-3,12-13H,4-11,14H2,(H,21,22,27)