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

Systemtic Name: 6-chloranyl-N-[(3-nitrophenyl)methyl]-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 6-chloro-N-[(3-nitrophenyl)methyl]-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 6-chloro-N-[(3-nitrophenyl)methyl]-2-(1-pyrazolyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 6-chloro-N-[(3-nitrophenyl)methyl]-2-pyrazol-1-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (6-chloro-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-yl)-(3-nitrobenzyl)amine Formula: C16H11ClN6O2S MolecularWeight: 386.81554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=C3C=C(SC3=NC(=N2)N4C=CC=N4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=C3C=C(SC3=NC(=N2)N4C=CC=N4)Cl

InChI

InChI=1S/C16H11ClN6O2S/c17-13-8-12-14(18-9-10-3-1-4-11(7-10)23(24)25)20-16(21-15(12)26-13)22-6-2-5-19-22/h1-8H,9H2,(H,18,20,21)