4-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine

Systemtic Name: 4-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-yl-pyrimidine Openeye Name: 4-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-2-isopropyl-6-methyl-pyrimidine CAS Name: 4-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-6-methyl-2-propan-2-ylpyrimidine IUPAC Name: 4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine Traditional Name: 4-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-2-isopropyl-6-methyl-pyrimidine Formula: C16H21BrN4O2S2 MolecularWeight: 445.39754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H21BrN4O2S2/c1-11(2)16-18-12(3)10-14(19-16)20-6-8-21(9-7-20)25(22,23)15-5-4-13(17)24-15/h4-5,10-11H,6-9H2,1-3H3