4-[4-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine

Systemtic Name: 4-[4-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine Openeye Name: 4-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]-2-isopropyl-6-methyl-pyrimidine CAS Name: 4-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-piperazinyl]-6-methyl-2-propan-2-ylpyrimidine IUPAC Name: 4-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine Traditional Name: 4-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazino]-2-isopropyl-6-methyl-pyrimidine Formula: C21H27BrN4O2 MolecularWeight: 447.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C21H27BrN4O2/c1-14(2)21-23-15(3)10-20(24-21)26-6-4-25(5-7-26)13-16-11-18-19(12-17(16)22)28-9-8-27-18/h10-12,14H,4-9,13H2,1-3H3