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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(SC3=NC(=N2)N4C=CC=N4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(SC3=NC(=N2)N4C=CC=N4)[N+](=O)[O-])OC

InChI

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