3-butyl-2-[(4-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-butyl-2-[(4-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-butyl-2-[(4-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 3-butyl-2-[(4-nitrophenyl)methylthio]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-butyl-2-[(4-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-butyl-2-[(4-nitrobenzyl)thio]thieno[3,2-d]pyrimidin-4-one Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=CS2)N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=C(C=CS2)N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3S2/c1-2-3-9-19-16(21)15-14(8-10-24-15)18-17(19)25-11-12-4-6-13(7-5-12)20(22)23/h4-8,10H,2-3,9,11H2,1H3