1-[4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[6-(methoxymethyl)-2-methyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]ethanone Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)N2CCN(CC2)C(=O)C)CC3=CC=C(C=C3)[N+](=O)[O-])COC

Isomeric SMILES

CC1=NC(=C(C(=N1)N2CCN(CC2)C(=O)C)CC3=CC=C(C=C3)[N+](=O)[O-])COC

InChI

InChI=1S/C20H25N5O4/c1-14-21-19(13-29-3)18(12-16-4-6-17(7-5-16)25(27)28)20(22-14)24-10-8-23(9-11-24)15(2)26/h4-7H,8-13H2,1-3H3