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

Systemtic Name: N-[(3-nitrophenyl)methyl]-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3-nitrophenyl)methyl]-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(3-nitrophenyl)methyl]-2-(1-pyrazolyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(3-nitrophenyl)methyl]-2-pyrazol-1-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (3-nitrobenzyl)-(2-pyrazol-1-ylthieno[2,3-d]pyrimidin-4-yl)amine Formula: C16H12N6O2S MolecularWeight: 352.37048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=C3C=CSC3=NC(=N2)N4C=CC=N4

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=C3C=CSC3=NC(=N2)N4C=CC=N4

InChI

InChI=1S/C16H12N6O2S/c23-22(24)12-4-1-3-11(9-12)10-17-14-13-5-8-25-15(13)20-16(19-14)21-7-2-6-18-21/h1-9H,10H2,(H,17,19,20)