5-nitro-2-[2-[[5-(piperidin-1-ylmethyl)thiophen-3-yl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one

Systemtic Name: 5-nitro-2-[2-[[5-(piperidin-1-ylmethyl)thiophen-3-yl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-nitro-2-[2-[[5-(1-piperidylmethyl)-3-thienyl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 5-nitro-2-[2-[[5-(1-piperidinylmethyl)-3-thiophenyl]methylthio]ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-nitro-2-[2-[[5-(piperidin-1-ylmethyl)thiophen-3-yl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-nitro-2-[2-[[5-(piperidinomethyl)-3-thienyl]methylthio]ethylamino]-1H-pyrimidin-6-one Formula: C17H23N5O3S2 MolecularWeight: 409.52622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CS2)CSCCNC3=NC=C(C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CS2)CSCCNC3=NC=C(C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O3S2/c23-16-15(22(24)25)9-19-17(20-16)18-4-7-26-11-13-8-14(27-12-13)10-21-5-2-1-3-6-21/h8-9,12H,1-7,10-11H2,(H2,18,19,20,23)