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

Systemtic Name: 5-(4-bromophenyl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-bromophenyl)-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H14BrN5O3S MolecularWeight: 460.30446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN5O3S/c1-9-16(24(26)27)10(2)23(22-9)7-14-20-17(25)15-13(8-28-18(15)21-14)11-3-5-12(19)6-4-11/h3-6,8H,7H2,1-2H3,(H,20,21,25)