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

Systemtic Name: 6-nitro-N-[(3-nitrophenyl)methyl]-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 6-nitro-N-[(3-nitrophenyl)methyl]-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 6-nitro-N-[(3-nitrophenyl)methyl]-2-(1-pyrazolyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 6-nitro-N-[(3-nitrophenyl)methyl]-2-pyrazol-1-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (3-nitrobenzyl)-(6-nitro-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-yl)amine Formula: C16H11N7O4S MolecularWeight: 397.36804

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H11N7O4S/c24-22(25)11-4-1-3-10(7-11)9-17-14-12-8-13(23(26)27)28-15(12)20-16(19-14)21-6-2-5-18-21/h1-8H,9H2,(H,17,19,20)