[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanone Openeye Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(6-methyl-2,3-dihydrobenzothiophen-2-yl)methanone CAS Name: [4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(5-bromopyrimidin-2-yl)piperazino]-(6-methyl-2,3-dihydrobenzothiophen-2-yl)methanone Formula: C18H19BrN4OS MolecularWeight: 419.33866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)N3CCN(CC3)C4=NC=C(C=N4)Br)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)N3CCN(CC3)C4=NC=C(C=N4)Br)C=C1

InChI

InChI=1S/C18H19BrN4OS/c1-12-2-3-13-9-16(25-15(13)8-12)17(24)22-4-6-23(7-5-22)18-20-10-14(19)11-21-18/h2-3,8,10-11,16H,4-7,9H2,1H3