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

Systemtic Name: 6-nitro-N-[(3-nitrophenyl)methyl]-2-pyridin-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 6-nitro-N-[(3-nitrophenyl)methyl]-2-(2-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 6-nitro-N-[(3-nitrophenyl)methyl]-2-(2-pyridinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 6-nitro-N-[(3-nitrophenyl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (3-nitrobenzyl)-[6-nitro-2-(2-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=NC(=C1)C2=NC(=C3C=C(SC3=N2)[N+](=O)[O-])NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C2=NC(=C3C=C(SC3=N2)[N+](=O)[O-])NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

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