3-chloranyl-4-(4-nitrophenyl)-1-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]azetidin-2-one

Systemtic Name: 3-chloranyl-4-(4-nitrophenyl)-1-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]azetidin-2-one Openeye Name: 3-chloro-4-(4-nitrophenyl)-1-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]azetidin-2-one CAS Name: 3-chloro-4-(4-nitrophenyl)-1-[(6-phenyl-4-thieno[3,2-d]pyrimidinyl)amino]-2-azetidinone IUPAC Name: 3-chloro-4-(4-nitrophenyl)-1-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]azetidin-2-one Traditional Name: 3-chloro-4-(4-nitrophenyl)-1-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]azetidin-2-one Formula: C21H14ClN5O3S MolecularWeight: 451.88556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(S2)C(=NC=N3)NN4C(C(C4=O)Cl)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(S2)C(=NC=N3)NN4C(C(C4=O)Cl)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClN5O3S/c22-17-18(13-6-8-14(9-7-13)27(29)30)26(21(17)28)25-20-19-15(23-11-24-20)10-16(31-19)12-4-2-1-3-5-12/h1-11,17-18H,(H,23,24,25)