1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-morpholin-4-yl-propan-2-ol

Systemtic Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-morpholin-4-yl-propan-2-ol Openeye Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-morpholino-propan-2-ol CAS Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-3-(4-morpholinyl)-2-propanol IUPAC Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol Traditional Name: 1-[4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]-3-morpholino-propan-2-ol Formula: C29H36N6O4 MolecularWeight: 532.63394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)CC(CN4CCOCC4)O)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)CC(CN4CCOCC4)O)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H36N6O4/c1-22-27(19-23-7-9-25(10-8-23)35(37)38)29(31-28(30-22)24-5-3-2-4-6-24)34-13-11-32(12-14-34)20-26(36)21-33-15-17-39-18-16-33/h2-10,26,36H,11-21H2,1H3