3-ethyl-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-ethyl-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-ethyl-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 3-ethyl-2-[(2-methyl-3-nitrophenyl)methylthio]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-ethyl-2-[(2-methyl-3-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-ethyl-2-[(2-methyl-3-nitro-benzyl)thio]thieno[3,2-d]pyrimidin-4-one Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S2/c1-3-18-15(20)14-12(7-8-23-14)17-16(18)24-9-11-5-4-6-13(10(11)2)19(21)22/h4-8H,3,9H2,1-2H3