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

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-5-(5-methyl-2-thiophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H15N5O3S2 MolecularWeight: 401.4627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H15N5O3S2/c1-8-4-5-12(27-8)11-7-26-17-14(11)16(23)18-13(19-17)6-21-10(3)15(22(24)25)9(2)20-21/h4-5,7H,6H2,1-3H3,(H,18,19,23)