1-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-5-methyl-2-propan-2-ylsulfanyl-6H-imidazo[4,5-d]pyridazine-4,7-dione

Systemtic Name: 1-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-5-methyl-2-propan-2-ylsulfanyl-6H-imidazo[4,5-d]pyridazine-4,7-dione Openeye Name: 1-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-2-isopropylsulfanyl-5-methyl-6H-imidazo[4,5-d]pyridazine-4,7-dione CAS Name: 1-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methyl-2-(propan-2-ylthio)-6H-imidazo[4,5-d]pyridazine-4,7-dione IUPAC Name: 1-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methyl-2-propan-2-ylsulfanyl-6H-imidazo[4,5-d]pyridazine-4,7-dione Traditional Name: 1-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-2-(isopropylthio)-5-methyl-6H-imidazo[4,5-d]pyridazine-4,7-quinone Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C3=C(C(=O)N(NC3=O)C)N=C2SC(C)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2C3=C(C(=O)N(NC3=O)C)N=C2SC(C)C)O

InChI

InChI=1S/C20H26N4O4S/c1-5-13-6-8-15(9-7-13)28-11-14(25)10-24-17-16(21-20(24)29-12(2)3)19(27)23(4)22-18(17)26/h6-9,12,14,25H,5,10-11H2,1-4H3,(H,22,26)