1-(furan-2-ylmethyl)-4-[(3-nitrophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

Systemtic Name: 1-(furan-2-ylmethyl)-4-[(3-nitrophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one Openeye Name: 1-(2-furylmethyl)-4-[(3-nitrophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one CAS Name: 1-(2-furanylmethyl)-4-[(3-nitrophenyl)methylthio]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one IUPAC Name: 1-(furan-2-ylmethyl)-4-[(3-nitrophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one Traditional Name: 1-(2-furfuryl)-4-[(3-nitrobenzyl)thio]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N(C(=O)N=C2SCC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CO4

Isomeric SMILES

C1CC2=C(C1)N(C(=O)N=C2SCC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CO4

InChI

InChI=1S/C19H17N3O4S/c23-19-20-18(27-12-13-4-1-5-14(10-13)22(24)25)16-7-2-8-17(16)21(19)11-15-6-3-9-26-15/h1,3-6,9-10H,2,7-8,11-12H2