1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-3-prop-2-ynoxy-propan-2-ol

Systemtic Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-3-prop-2-ynoxy-propan-2-ol Openeye Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-3-prop-2-ynoxy-propan-2-ol CAS Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-3-prop-2-ynoxy-2-propanol IUPAC Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-prop-2-ynoxypropan-2-ol Traditional Name: 1-[4-[5-(2,5-dimethylbenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazino]-3-propargyloxy-propan-2-ol Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=C(N=C(N=C2N3CCN(CC3)CC(COCC#C)O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=C(N=C(N=C2N3CCN(CC3)CC(COCC#C)O)C)C

InChI

InChI=1S/C25H34N4O2/c1-6-13-31-17-23(30)16-28-9-11-29(12-10-28)25-24(20(4)26-21(5)27-25)15-22-14-18(2)7-8-19(22)3/h1,7-8,14,23,30H,9-13,15-17H2,2-5H3