2-imidazol-1-yl-5,6-dimethyl-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 2-imidazol-1-yl-5,6-dimethyl-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: 2-imidazol-1-yl-5,6-dimethyl-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: 2-(1-imidazolyl)-5,6-dimethyl-N-[(3-nitrophenyl)methyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 2-imidazol-1-yl-5,6-dimethyl-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: (2-imidazol-1-yl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)-(3-nitrobenzyl)amine Formula: C18H16N6O2S MolecularWeight: 380.42364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCC3=CC(=CC=C3)[N+](=O)[O-])N4C=CN=C4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCC3=CC(=CC=C3)[N+](=O)[O-])N4C=CN=C4)C

InChI

InChI=1S/C18H16N6O2S/c1-11-12(2)27-17-15(11)16(21-18(22-17)23-7-6-19-10-23)20-9-13-4-3-5-14(8-13)24(25)26/h3-8,10H,9H2,1-2H3,(H,20,21,22)