1-[4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[6-(methoxymethyl)-2-methyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]-3-methyl-butan-1-one Formula: C23H31N5O4 MolecularWeight: 441.52334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O4/c1-16(2)13-22(29)26-9-11-27(12-10-26)23-20(21(15-32-4)24-17(3)25-23)14-18-5-7-19(8-6-18)28(30)31/h5-8,16H,9-15H2,1-4H3