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

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C14H15N5O3S MolecularWeight: 333.3656

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O3S/c1-6-9(4)23-14-11(6)13(20)15-10(16-14)5-18-8(3)12(19(21)22)7(2)17-18/h5H2,1-4H3,(H,15,16,20)