1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol

Systemtic Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol Openeye Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol CAS Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-5-hexen-2-ol IUPAC Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol Traditional Name: 1-[4-[2,6-dimethyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]hex-5-en-2-ol Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O3/c1-4-5-6-21(29)16-26-11-13-27(14-12-26)23-22(17(2)24-18(3)25-23)15-19-7-9-20(10-8-19)28(30)31/h4,7-10,21,29H,1,5-6,11-16H2,2-3H3