5-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-8,8-dimethyl-2-propan-2-ylsulfanyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 5-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-8,8-dimethyl-2-propan-2-ylsulfanyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 5-(4-hydroxy-3-iodo-5-methoxy-phenyl)-2-isopropylsulfanyl-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(4-hydroxy-3-iodo-5-methoxyphenyl)-8,8-dimethyl-2-(propan-2-ylthio)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(4-hydroxy-3-iodo-5-methoxyphenyl)-8,8-dimethyl-2-propan-2-ylsulfanyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 5-(4-hydroxy-3-iodo-5-methoxy-phenyl)-2-(isopropylthio)-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C23H26IN3O4S MolecularWeight: 567.43971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=C(C(=C4)I)O)OC)C(=O)CC(C3)(C)C

Isomeric SMILES

CC(C)SC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=C(C(=C4)I)O)OC)C(=O)CC(C3)(C)C

InChI

InChI=1S/C23H26IN3O4S/c1-10(2)32-22-26-20-18(21(30)27-22)16(11-6-12(24)19(29)15(7-11)31-5)17-13(25-20)8-23(3,4)9-14(17)28/h6-7,10,16,29H,8-9H2,1-5H3,(H2,25,26,27,30)