3-ethyl-5,6-dimethyl-2-[(3-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-ethyl-5,6-dimethyl-2-[(3-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-5,6-dimethyl-2-[(3-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-5,6-dimethyl-2-[(3-nitrophenyl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-5,6-dimethyl-2-[(3-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-5,6-dimethyl-2-[(3-nitrobenzyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC3=CC(=CC=C3)[N+](=O)[O-])SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC3=CC(=CC=C3)[N+](=O)[O-])SC(=C2C)C

InChI

InChI=1S/C17H17N3O3S2/c1-4-19-16(21)14-10(2)11(3)25-15(14)18-17(19)24-9-12-6-5-7-13(8-12)20(22)23/h5-8H,4,9H2,1-3H3