2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-nitro-1,3-benzoxazole

Systemtic Name: 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-nitro-1,3-benzoxazole Openeye Name: 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-nitro-1,3-benzoxazole CAS Name: 2-(2-imidazo[1,2-a]pyrimidinylmethylthio)-5-nitro-1,3-benzoxazole IUPAC Name: 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-nitro-1,3-benzoxazole Traditional Name: 2-(imidazo[1,2-a]pyrimidin-2-ylmethylthio)-5-nitro-1,3-benzoxazole Formula: C14H9N5O3S MolecularWeight: 327.31796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN2C=C(N=C2N=C1)CSC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CN2C=C(N=C2N=C1)CSC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C14H9N5O3S/c20-19(21)10-2-3-12-11(6-10)17-14(22-12)23-8-9-7-18-5-1-4-15-13(18)16-9/h1-7H,8H2