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

Systemtic Name: (3-chloranyl-6-nitro-1-benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (3-chloro-6-nitro-benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (3-chloro-6-nitro-benzothiophen-2-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C17H14ClN5O3S MolecularWeight: 403.84276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN5O3S/c18-14-12-3-2-11(23(25)26)10-13(12)27-15(14)16(24)21-6-8-22(9-7-21)17-19-4-1-5-20-17/h1-5,10H,6-9H2