5,6-dimethyl-N-(3-nitrophenyl)-2-(phenylmethyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5,6-dimethyl-N-(3-nitrophenyl)-2-(phenylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 2-benzyl-5,6-dimethyl-N-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-N-(3-nitrophenyl)-2-(phenylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 2-benzyl-5,6-dimethyl-N-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: (2-benzyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)-(3-nitrophenyl)amine Formula: C21H18N4O2S MolecularWeight: 390.45822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4)C

InChI

InChI=1S/C21H18N4O2S/c1-13-14(2)28-21-19(13)20(22-16-9-6-10-17(12-16)25(26)27)23-18(24-21)11-15-7-4-3-5-8-15/h3-10,12H,11H2,1-2H3,(H,22,23,24)