3-(3-methylbutyl)-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(3-methylbutyl)-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-isopentyl-2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(3-methylbutyl)-2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(3-methylbutyl)-2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one Traditional Name: 3-isoamyl-2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]thieno[3,2-d]pyrimidin-4-one Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S2/c1-12(2)6-8-21-18(24)17-15(7-9-27-17)20-19(21)28-11-16(23)13-4-3-5-14(10-13)22(25)26/h3-5,7,9-10,12H,6,8,11H2,1-2H3