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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-imidazol-1-yl-6-nitro-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-imidazol-1-yl-6-nitro-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1-imidazolyl)-6-nitro-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-imidazol-1-yl-6-nitrothieno[2,3-d]pyrimidin-4-amine Traditional Name: (2-imidazol-1-yl-6-nitro-thieno[2,3-d]pyrimidin-4-yl)-veratryl-amine Formula: C18H16N6O4S MolecularWeight: 412.42244

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6O4S/c1-27-13-4-3-11(7-14(13)28-2)9-20-16-12-8-15(24(25)26)29-17(12)22-18(21-16)23-6-5-19-10-23/h3-8,10H,9H2,1-2H3,(H,20,21,22)