2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C15H15N5O4S MolecularWeight: 361.3757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C(=O)C

InChI

InChI=1S/C15H15N5O4S/c1-6-11-14(22)16-10(17-15(11)25-13(6)9(4)21)5-19-8(3)12(20(23)24)7(2)18-19/h5H2,1-4H3,(H,16,17,22)