3-nitro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 3-nitro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 3-nitro-2-[4-(2-thienylmethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 3-nitro-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 3-nitro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 3-nitro-2-[4-(2-thenyl)piperazino]pyrido[1,2-a]pyrimidin-4-one Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C3=C(C(=O)N4C=CC=CC4=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C3=C(C(=O)N4C=CC=CC4=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3S/c23-17-15(22(24)25)16(18-14-5-1-2-6-21(14)17)20-9-7-19(8-10-20)12-13-4-3-11-26-13/h1-6,11H,7-10,12H2