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

Systemtic Name: 6-nitro-N-(phenylmethyl)-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-benzyl-6-nitro-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 6-nitro-N-(phenylmethyl)-2-(1-pyrazolyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-benzyl-6-nitro-2-pyrazol-1-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: benzyl-(6-nitro-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-yl)amine Formula: C16H12N6O2S MolecularWeight: 352.37048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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