N-[(3-chloranyl-4-methoxy-phenyl)methyl]-2-imidazol-1-yl-6-nitro-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-2-imidazol-1-yl-6-nitro-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-2-imidazol-1-yl-6-nitro-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-2-(1-imidazolyl)-6-nitro-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-2-imidazol-1-yl-6-nitrothieno[2,3-d]pyrimidin-4-amine Traditional Name: (3-chloro-4-methoxy-benzyl)-(2-imidazol-1-yl-6-nitro-thieno[2,3-d]pyrimidin-4-yl)amine Formula: C17H13ClN6O3S MolecularWeight: 416.84152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(SC3=NC(=N2)N4C=CN=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(SC3=NC(=N2)N4C=CN=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H13ClN6O3S/c1-27-13-3-2-10(6-12(13)18)8-20-15-11-7-14(24(25)26)28-16(11)22-17(21-15)23-5-4-19-9-23/h2-7,9H,8H2,1H3,(H,20,21,22)