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

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C12H11N5O3S MolecularWeight: 305.31244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NC(=O)C3=C(N2)C=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=NC(=O)C3=C(N2)C=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O3S/c1-6-10(17(19)20)7(2)16(15-6)5-9-13-8-3-4-21-11(8)12(18)14-9/h3-4H,5H2,1-2H3,(H,13,14,18)