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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylimidazol-1-yl)-6-nitro-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylimidazol-1-yl)-6-nitro-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methyl-1-imidazolyl)-6-nitro-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylimidazol-1-yl)-6-nitrothieno[2,3-d]pyrimidin-4-amine Traditional Name: [2-(2-methylimidazol-1-yl)-6-nitro-thieno[2,3-d]pyrimidin-4-yl]-veratryl-amine Formula: C19H18N6O4S MolecularWeight: 426.44902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=NC(=C3C=C(SC3=N2)[N+](=O)[O-])NCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=NC=CN1C2=NC(=C3C=C(SC3=N2)[N+](=O)[O-])NCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C19H18N6O4S/c1-11-20-6-7-24(11)19-22-17(13-9-16(25(26)27)30-18(13)23-19)21-10-12-4-5-14(28-2)15(8-12)29-3/h4-9H,10H2,1-3H3,(H,21,22,23)