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

Systemtic Name: 6-ethanoyl-2-[(4-methoxy-2-nitro-phenoxy)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-2-[(4-methoxy-2-nitro-phenoxy)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-2-[(4-methoxy-2-nitrophenoxy)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-2-[(4-methoxy-2-nitrophenoxy)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-2-[(4-methoxy-2-nitro-phenoxy)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O6S/c1-8-14-16(22)18-13(19-17(14)27-15(8)9(2)21)7-26-12-5-4-10(25-3)6-11(12)20(23)24/h4-6H,7H2,1-3H3,(H,18,19,22)