2-[(2-chloranyl-4-nitro-phenoxy)methyl]-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenoxy)methyl]-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-2-[(2-chloro-4-nitro-phenoxy)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-2-[(2-chloro-4-nitrophenoxy)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-2-[(2-chloro-4-nitrophenoxy)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-2-[(2-chloro-4-nitro-phenoxy)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H12ClN3O5S MolecularWeight: 393.80158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(=O)C

InChI

InChI=1S/C16H12ClN3O5S/c1-7-13-15(22)18-12(19-16(13)26-14(7)8(2)21)6-25-11-4-3-9(20(23)24)5-10(11)17/h3-5H,6H2,1-2H3,(H,18,19,22)