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

Systemtic Name: 6-methyl-N-[(3-nitrophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 2-isoxazol-5-yl-6-methyl-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: 2-(5-isoxazolyl)-6-methyl-N-[(3-nitrophenyl)methyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 6-methyl-N-[(3-nitrophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: (2-isoxazol-5-yl-6-methyl-thieno[2,3-d]pyrimidin-4-yl)-(3-nitrobenzyl)amine Formula: C17H13N5O3S MolecularWeight: 367.38182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N=C(N=C2S1)C3=CC=NO3)NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(N=C(N=C2S1)C3=CC=NO3)NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O3S/c1-10-7-13-15(18-9-11-3-2-4-12(8-11)22(23)24)20-16(21-17(13)26-10)14-5-6-19-25-14/h2-8H,9H2,1H3,(H,18,20,21)