6-ethyl-N-[(3-nitrophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 6-ethyl-N-[(3-nitrophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 6-ethyl-2-isoxazol-5-yl-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: 6-ethyl-2-(5-isoxazolyl)-N-[(3-nitrophenyl)methyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 6-ethyl-N-[(3-nitrophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: (6-ethyl-2-isoxazol-5-yl-thieno[2,3-d]pyrimidin-4-yl)-(3-nitrobenzyl)amine Formula: C18H15N5O3S MolecularWeight: 381.4084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C3=CC=NO3)NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C3=CC=NO3)NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O3S/c1-2-13-9-14-16(19-10-11-4-3-5-12(8-11)23(24)25)21-17(22-18(14)27-13)15-6-7-20-26-15/h3-9H,2,10H2,1H3,(H,19,21,22)