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

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O3S/c1-10-16(23(25)26)11(2)22(21-10)8-14-19-17(24)15-13(9-27-18(15)20-14)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,19,20,24)