4-[2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylethanoyl]-3,3-dimethyl-piperazin-2-one

Systemtic Name: 4-[2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylethanoyl]-3,3-dimethyl-piperazin-2-one Openeye Name: 4-[2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylacetyl]-3,3-dimethyl-piperazin-2-one CAS Name: 4-[2-[[4-(4-bromophenyl)-2-pyrimidinyl]thio]-1-oxoethyl]-3,3-dimethyl-2-piperazinone IUPAC Name: 4-[2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylacetyl]-3,3-dimethylpiperazin-2-one Traditional Name: 4-[2-[[4-(4-bromophenyl)pyrimidin-2-yl]thio]acetyl]-3,3-dimethyl-piperazin-2-one Formula: C18H19BrN4O2S MolecularWeight: 435.33806

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NCCN1C(=O)CSC2=NC=CC(=N2)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1(C(=O)NCCN1C(=O)CSC2=NC=CC(=N2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H19BrN4O2S/c1-18(2)16(25)20-9-10-23(18)15(24)11-26-17-21-8-7-14(22-17)12-3-5-13(19)6-4-12/h3-8H,9-11H2,1-2H3,(H,20,25)