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

Systemtic Name: 6-ethanoyl-5-methyl-2-[(4-nitrophenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-5-methyl-2-[(4-nitrophenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-5-methyl-2-[(4-nitrophenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-5-methyl-2-[(4-nitrophenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-5-methyl-2-[(4-nitrophenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O5S/c1-8-13-15(21)17-12(18-16(13)25-14(8)9(2)20)7-24-11-5-3-10(4-6-11)19(22)23/h3-6H,7H2,1-2H3,(H,17,18,21)