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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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