1-[2-[[1-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-3-pyrrolidin-1-yl-propan-2-yl]amino]-5-methyl-4-oxidanylidene-3,1-benzoxazin-6-yl]urea

Systemtic Name: 1-[2-[[1-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-3-pyrrolidin-1-yl-propan-2-yl]amino]-5-methyl-4-oxidanylidene-3,1-benzoxazin-6-yl]urea Openeye Name: [2-[[1-[(4-hydroxy-3,5-diiodo-phenyl)methyl]-2-pyrrolidin-1-yl-ethyl]amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]urea CAS Name: [2-[[1-(4-hydroxy-3,5-diiodophenyl)-3-(1-pyrrolidinyl)propan-2-yl]amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]urea IUPAC Name: [2-[[1-(4-hydroxy-3,5-diiodophenyl)-3-pyrrolidin-1-ylpropan-2-yl]amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]urea Traditional Name: [2-[[1-(4-hydroxy-3,5-diiodo-benzyl)-2-pyrrolidino-ethyl]amino]-4-keto-5-methyl-3,1-benzoxazin-6-yl]urea Formula: C23H25I2N5O4 MolecularWeight: 689.28464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CC3=CC(=C(C(=C3)I)O)I)CN4CCCC4)NC(=O)N

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CC3=CC(=C(C(=C3)I)O)I)CN4CCCC4)NC(=O)N

InChI

InChI=1S/C23H25I2N5O4/c1-12-17(28-22(26)33)4-5-18-19(12)21(32)34-23(29-18)27-14(11-30-6-2-3-7-30)8-13-9-15(24)20(31)16(25)10-13/h4-5,9-10,14,31H,2-3,6-8,11H2,1H3,(H,27,29)(H3,26,28,33)