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

Systemtic Name: 3-(3-methylbutyl)-2-[(4-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-isopentyl-2-[(4-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(3-methylbutyl)-2-[(4-nitrophenyl)methylthio]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(3-methylbutyl)-2-[(4-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-isoamyl-2-[(4-nitrobenzyl)thio]thieno[3,2-d]pyrimidin-4-one Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=CS2)N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=CS2)N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O3S2/c1-12(2)7-9-20-17(22)16-15(8-10-25-16)19-18(20)26-11-13-3-5-14(6-4-13)21(23)24/h3-6,8,10,12H,7,9,11H2,1-2H3