methyl 4-[[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]methyl]benzoic acid methyl ester Formula: C21H28N4O2 MolecularWeight: 368.47262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H28N4O2/c1-15(2)20-22-16(3)13-19(23-20)25-11-9-24(10-12-25)14-17-5-7-18(8-6-17)21(26)27-4/h5-8,13,15H,9-12,14H2,1-4H3