4-[(4-nitrophenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

Systemtic Name: 4-[(4-nitrophenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one Openeye Name: 4-[(4-nitrophenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one CAS Name: 4-[(4-nitrophenyl)methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one IUPAC Name: 4-[(4-nitrophenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one Traditional Name: 4-[(4-nitrobenzyl)thio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3S/c18-14-15-12-3-1-2-11(12)13(16-14)21-8-9-4-6-10(7-5-9)17(19)20/h4-7H,1-3,8H2,(H,15,16,18)