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

Systemtic Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-2-ol Openeye Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-2-ol CAS Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-3-methyl-2-butanol IUPAC Name: 1-[4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-2-ol Traditional Name: 1-[4-[2,6-dimethyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]-3-methyl-butan-2-ol Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O3/c1-15(2)21(28)14-25-9-11-26(12-10-25)22-20(16(3)23-17(4)24-22)13-18-5-7-19(8-6-18)27(29)30/h5-8,15,21,28H,9-14H2,1-4H3