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

Systemtic Name: 5,6-dimethyl-N-[(3-nitrophenyl)methyl]-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5,6-dimethyl-N-[(3-nitrophenyl)methyl]-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-N-[(3-nitrophenyl)methyl]-2-(1-pyrazolyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5,6-dimethyl-N-[(3-nitrophenyl)methyl]-2-pyrazol-1-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (5,6-dimethyl-2-pyrazol-1-yl-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=CC=N4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCC3=CC(=CC=C3)[N+](=O)[O-])N4C=CC=N4)C

InChI

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