1-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol

Systemtic Name: 1-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol Openeye Name: 1-[4-[6-ethyl-2-methyl-5-(m-tolylmethyl)pyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol CAS Name: 1-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-5-hexen-2-ol IUPAC Name: 1-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol Traditional Name: 1-[4-[6-ethyl-2-methyl-5-(3-methylbenzyl)pyrimidin-4-yl]piperazino]hex-5-en-2-ol Formula: C25H36N4O MolecularWeight: 408.57954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)CC(CCC=C)O)CC3=CC=CC(=C3)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)CC(CCC=C)O)CC3=CC=CC(=C3)C

InChI

InChI=1S/C25H36N4O/c1-5-7-11-22(30)18-28-12-14-29(15-13-28)25-23(24(6-2)26-20(4)27-25)17-21-10-8-9-19(3)16-21/h5,8-10,16,22,30H,1,6-7,11-15,17-18H2,2-4H3