4-[4-(5-bromanyl-2-ethoxy-phenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine

Systemtic Name: 4-[4-(5-bromanyl-2-ethoxy-phenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine Openeye Name: 4-[4-(5-bromo-2-ethoxy-phenyl)sulfonylpiperazin-1-yl]-2-isopropyl-6-methyl-pyrimidine CAS Name: 4-[4-(5-bromo-2-ethoxyphenyl)sulfonyl-1-piperazinyl]-6-methyl-2-propan-2-ylpyrimidine IUPAC Name: 4-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine Traditional Name: 4-[4-(5-bromo-2-ethoxy-phenyl)sulfonylpiperazino]-2-isopropyl-6-methyl-pyrimidine Formula: C20H27BrN4O3S MolecularWeight: 483.42238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

InChI

InChI=1S/C20H27BrN4O3S/c1-5-28-17-7-6-16(21)13-18(17)29(26,27)25-10-8-24(9-11-25)19-12-15(4)22-20(23-19)14(2)3/h6-7,12-14H,5,8-11H2,1-4H3