6-iodanyl-2-methyl-3-[5-[3-[(2-methylphenyl)amino]-2-oxidanyl-propyl]sulfanyl-1,3,4-thiadiazol-2-yl]quinazolin-4-one

Systemtic Name: 6-iodanyl-2-methyl-3-[5-[3-[(2-methylphenyl)amino]-2-oxidanyl-propyl]sulfanyl-1,3,4-thiadiazol-2-yl]quinazolin-4-one Openeye Name: 3-[5-[2-hydroxy-3-(2-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-6-iodo-2-methyl-quinazolin-4-one CAS Name: 3-[5-[[2-hydroxy-3-(2-methylanilino)propyl]thio]-1,3,4-thiadiazol-2-yl]-6-iodo-2-methyl-4-quinazolinone IUPAC Name: 3-[5-[2-hydroxy-3-(2-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-6-iodo-2-methylquinazolin-4-one Traditional Name: 3-[5-[[2-hydroxy-3-(o-toluidino)propyl]thio]-1,3,4-thiadiazol-2-yl]-6-iodo-2-methyl-quinazolin-4-one Formula: C21H20IN5O2S2 MolecularWeight: 565.45027

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCC(CSC2=NN=C(S2)N3C(=NC4=C(C3=O)C=C(C=C4)I)C)O

Isomeric SMILES

CC1=CC=CC=C1NCC(CSC2=NN=C(S2)N3C(=NC4=C(C3=O)C=C(C=C4)I)C)O

InChI

InChI=1S/C21H20IN5O2S2/c1-12-5-3-4-6-17(12)23-10-15(28)11-30-21-26-25-20(31-21)27-13(2)24-18-8-7-14(22)9-16(18)19(27)29/h3-9,15,23,28H,10-11H2,1-2H3