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

Systemtic Name: 6-chloranyl-N-[(3-nitrophenyl)methyl]-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 6-chloro-N-[(3-nitrophenyl)methyl]-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 6-chloro-N-[(3-nitrophenyl)methyl]-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 6-chloro-N-[(3-nitrophenyl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [6-chloro-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]-(3-nitrobenzyl)amine Formula: C18H12ClN5O2S MolecularWeight: 397.83818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN5O2S/c19-15-8-14-17(21-9-11-3-1-5-13(7-11)24(25)26)22-16(23-18(14)27-15)12-4-2-6-20-10-12/h1-8,10H,9H2,(H,21,22,23)