(5-nitrothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (5-nitrothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (5-nitro-2-thienyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (5-nitro-2-thiophenyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (5-nitrothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (5-nitro-2-thienyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O3S/c19-12(10-2-3-11(22-10)18(20)21)16-6-8-17(9-7-16)13-14-4-1-5-15-13/h1-5H,6-9H2