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4-oxo-N-{3-[2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy]benzyl}-3,4-dihydroquinazoline-2-carboxamide


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Chemical Component Summary

Name4-oxo-N-{3-[2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy]benzyl}-3,4-dihydroquinazoline-2-carboxamide
Identifiers4-oxidanylidene-N-[[3-[2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy]phenyl]methyl]-3H-quinazoline-2-carboxamide
FormulaC20 H18 N6 O3 S
Molecular Weight422.46
TypeNON-POLYMER
Isomeric SMILESc1ccc2c(c1)C(=O)NC(=N2)C(=O)NCc3cccc(c3)OCCSc4nc[nH]n4
InChIInChI=1S/C20H18N6O3S/c27-18-15-6-1-2-7-16(15)24-17(25-18)19(28)21-11-13-4-3-5-14(10-13)29-8-9-30-20-22-12-23-26-20/h1-7,10,12H,8-9,11H2,(H,21,28)(H,22,23,26)(H,24,25,27)
InChIKeyOXTBPBSHWBJLJN-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count0
Bond Count51
Aromatic Bond Count17

Related Resource References

Resource NameReference
Pharos CHEMBL4083954
PubChem 135567051, 57708822
ChEMBL CHEMBL4083954