2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole

Systemtic Name: 2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxazole CAS Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]oxazole IUPAC Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole Traditional Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[4-(2-pyrimidyl)piperazino]methyl]oxazole Formula: C20H20ClN5O3 MolecularWeight: 413.8575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C20H20ClN5O3/c1-13-16(11-25-5-7-26(8-6-25)20-22-3-2-4-23-20)24-19(29-13)14-9-17-18(10-15(14)21)28-12-27-17/h2-4,9-10H,5-8,11-12H2,1H3