(3-chloranyl-6-methyl-1-benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-chloranyl-6-methyl-1-benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (3-chloro-6-methyl-benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (3-chloro-6-methyl-benzothiophen-2-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C18H17ClN4OS MolecularWeight: 372.87178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4OS/c1-12-3-4-13-14(11-12)25-16(15(13)19)17(24)22-7-9-23(10-8-22)18-20-5-2-6-21-18/h2-6,11H,7-10H2,1H3