1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-phenoxy-propan-2-ol

Systemtic Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-phenoxy-propan-2-ol Openeye Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-phenoxy-propan-2-ol CAS Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-3-phenoxy-2-propanol IUPAC Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-phenoxypropan-2-ol Traditional Name: 1-[4-[2,6-dimethyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]-3-phenoxy-propan-2-ol Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)CC(COC3=CC=CC=C3)O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)CC(COC3=CC=CC=C3)O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H31N5O4/c1-19-25(16-21-8-10-22(11-9-21)31(33)34)26(28-20(2)27-19)30-14-12-29(13-15-30)17-23(32)18-35-24-6-4-3-5-7-24/h3-11,23,32H,12-18H2,1-2H3