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

Systemtic Name: cyclopropyl-[4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: cyclopropyl-[4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: cyclopropyl-[4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: cyclopropyl-[4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: cyclopropyl-[4-[6-(methoxymethyl)-2-methyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]methanone Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)N2CCN(CC2)C(=O)C3CC3)CC4=CC=C(C=C4)[N+](=O)[O-])COC

Isomeric SMILES

CC1=NC(=C(C(=N1)N2CCN(CC2)C(=O)C3CC3)CC4=CC=C(C=C4)[N+](=O)[O-])COC

InChI

InChI=1S/C22H27N5O4/c1-15-23-20(14-31-2)19(13-16-3-7-18(8-4-16)27(29)30)21(24-15)25-9-11-26(12-10-25)22(28)17-5-6-17/h3-4,7-8,17H,5-6,9-14H2,1-2H3