[3-[[4-(5-bromanylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [3-[[4-(5-bromanylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [3-[[4-(5-bromo-2-thienyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [3-[[4-(5-bromo-2-thiophenyl)-2-pyrimidinyl]amino]phenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [3-[[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [3-[[4-(5-bromo-2-thienyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazino)methanone Formula: C20H20BrN5OS MolecularWeight: 458.3747

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)C4=CC=C(S4)Br

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3=NC=CC(=N3)C4=CC=C(S4)Br

InChI

InChI=1S/C20H20BrN5OS/c1-25-9-11-26(12-10-25)19(27)14-3-2-4-15(13-14)23-20-22-8-7-16(24-20)17-5-6-18(21)28-17/h2-8,13H,9-12H2,1H3,(H,22,23,24)