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

Systemtic Name: 1-[4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-3-prop-2-ynoxy-propan-2-ol Openeye Name: 1-[4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-3-prop-2-ynoxy-propan-2-ol CAS Name: 1-[4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-3-prop-2-ynoxy-2-propanol IUPAC Name: 1-[4-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-prop-2-ynoxypropan-2-ol Traditional Name: 1-[4-[5-(4-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazino]-3-propargyloxy-propan-2-ol Formula: C23H29ClN4O2 MolecularWeight: 428.95496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)CC(COCC#C)O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)CC(COCC#C)O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H29ClN4O2/c1-4-13-30-16-21(29)15-27-9-11-28(12-10-27)23-22(17(2)25-18(3)26-23)14-19-5-7-20(24)8-6-19/h1,5-8,21,29H,9-16H2,2-3H3