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

Systemtic Name: 6-nitro-N-[(3-nitrophenyl)methyl]-2-pyridin-4-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 6-nitro-N-[(3-nitrophenyl)methyl]-2-(4-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 6-nitro-N-[(3-nitrophenyl)methyl]-2-pyridin-4-yl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 6-nitro-N-[(3-nitrophenyl)methyl]-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (3-nitrobenzyl)-[6-nitro-2-(4-pyridyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C18H12N6O4S MolecularWeight: 408.39068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=C3C=C(SC3=NC(=N2)C4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=C3C=C(SC3=NC(=N2)C4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N6O4S/c25-23(26)13-3-1-2-11(8-13)10-20-17-14-9-15(24(27)28)29-18(14)22-16(21-17)12-4-6-19-7-5-12/h1-9H,10H2,(H,20,21,22)