[3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [3-[[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]methyl]phenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]phenyl]-(4-methylpiperazino)methanone Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C)C5=NC(=NC=C5)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C)C5=NC(=NC=C5)N

InChI

InChI=1S/C26H27N5OS/c1-17-21-16-19(6-7-23(21)33-24(17)22-8-9-28-26(27)29-22)14-18-4-3-5-20(15-18)25(32)31-12-10-30(2)11-13-31/h3-9,15-16H,10-14H2,1-2H3,(H2,27,28,29)