4-chloranyl-5,6-dimethyl-2-[(4-nitroimidazol-1-yl)methyl]thieno[2,3-d]pyrimidine

Systemtic Name: 4-chloranyl-5,6-dimethyl-2-[(4-nitroimidazol-1-yl)methyl]thieno[2,3-d]pyrimidine Openeye Name: 4-chloro-5,6-dimethyl-2-[(4-nitroimidazol-1-yl)methyl]thieno[2,3-d]pyrimidine CAS Name: 4-chloro-5,6-dimethyl-2-[(4-nitro-1-imidazolyl)methyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-chloro-5,6-dimethyl-2-[(4-nitroimidazol-1-yl)methyl]thieno[2,3-d]pyrimidine Traditional Name: 4-chloro-5,6-dimethyl-2-[(4-nitroimidazol-1-yl)methyl]thieno[2,3-d]pyrimidine Formula: C12H10ClN5O2S MolecularWeight: 323.7581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)CN3C=C(N=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)CN3C=C(N=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C12H10ClN5O2S/c1-6-7(2)21-12-10(6)11(13)15-8(16-12)3-17-4-9(14-5-17)18(19)20/h4-5H,3H2,1-2H3